Natural Product: NPC289381

Natural Product ID:  NPC289381
Common Name:   Hordenine Sulfate
IUPAC Name:   4-[2-(dimethylamino)ethyl]phenol;sulfuric acid
Synonyms:   Hordenine Sulfate
Molecular Formula:   C10H15NO.H2O4S
Standard InCHIKey:  OIIQUBZPQJNHQK-UHFFFAOYSA-N
Standard InCHI:  InChI=1S/C10H15NO.H2O4S/c1-11(2)8-7-9-3-5-10(12)6-4-9;1-5(2,3)4/h3-6,12H,7-8H2,1-2H3;(H2,1,2,3,4)
Canonical SMILES:  OS(=O)(=O)O.CN(CCc1ccc(cc1)O)C
First Find Year:  
Max Developmental Stage:  
Synthetic Gene Cluster:   ;

  Species Source

Organism ID Organism Name Taxonomy Level Family SuperKingdom Isolation Part Collection Location Collection Time Reference
NPO30696 Cactaceae spp Species Cactaceae Eukaryota HerDing*
NPO31037 Alhagi pseudalhagi Species Fabaceae Eukaryota HerDing*
NPO31116 Poaceae spp Species Poaceae Eukaryota HerDing*
NPO31361 Amaryllidaceae spp Species Amaryllidaceae Eukaryota HerDing*
NPO31470 Fabaceae spp Species Fabaceae Eukaryota HerDing*
NPO31566 Massa fermentata NA NA NA HerDing*
NPO6015 Desmodium cephalotes Species Fabaceae Eukaryota HerDing*
NPO7804 Desmodium gangeticum Species Fabaceae Eukaryota HerDing*
NPO12299 Dens draconis NA NA NA HerDing*
NPO17479 Aconitum tanguticum Species Ranunculaceae Eukaryota HerDing*
NPO19235 Acacia spirorbis Species Fabaceae Eukaryota HerDing*
NPO19287 Phalaris arundinacea Species Poaceae Eukaryota HerDing*
NPO22132 Hordeum vulgare Species Poaceae Eukaryota HerDing*
NPO23247 Desmodium tiliaefolium Species Fabaceae Eukaryota HerDing*
NPO28146 Liriope spicata Species Asparagaceae Eukaryota HerDing*
NPO29283 Eremurus himalaicus Species Xanthorrhoeaceae Eukaryota HerDing*

  Biological Activity

Target ID Target Type Target Name Target Organism Activity Type Activity Relation Value Unit Reference
NPT66 Individual Protein Acetylcholinesterase Electrophorus electricus Inhibition = -4.35 % 23062825
NPT67 Individual Protein Cholinesterase Equus caballus Inhibition = -2.06 % 23062825

  Similar Natural Products in NPASS

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules. Tc lies between [0, 1] where '1' indicates the highest similarity. What is Tanimoto coefficient

●  The left chart: Distribution of similarity level between NPC289381 and all remaining natural products in the NPASS database.
●  The right table: Most similar natural products (Tc>=0.56 or Top200).

Similarity Score Similarity Level Natural Product ID
1.0 High Similarity NPC155847
0.9184 High Similarity NPC178902
0.9072 High Similarity NPC125732
0.8911 High Similarity NPC231705
0.8824 High Similarity NPC142297
0.871 High Similarity NPC197783
0.8654 High Similarity NPC258056
0.8617 High Similarity NPC23167
0.8602 High Similarity NPC175313
0.8602 High Similarity NPC248817
0.86 High Similarity NPC29601
0.8571 High Similarity NPC474149
0.8558 High Similarity NPC96224
0.8558 High Similarity NPC24101
0.8558 High Similarity NPC153690
0.8526 High Similarity NPC25493
0.8526 High Similarity NPC113460
0.8519 High Similarity NPC213
0.8519 High Similarity NPC10286
0.8495 Intermediate Similarity NPC124436
0.8495 Intermediate Similarity NPC265146
0.8438 Intermediate Similarity NPC280347
0.8438 Intermediate Similarity NPC318325
0.8438 Intermediate Similarity NPC258219
0.8438 Intermediate Similarity NPC177420
0.8438 Intermediate Similarity NPC123273
0.8438 Intermediate Similarity NPC242240
0.8431 Intermediate Similarity NPC68055
0.8421 Intermediate Similarity NPC184169
0.8351 Intermediate Similarity NPC55561
0.8302 Intermediate Similarity NPC145638
0.8302 Intermediate Similarity NPC290566
0.8288 Intermediate Similarity NPC85276
0.8265 Intermediate Similarity NPC304541
0.8265 Intermediate Similarity NPC155908
0.8257 Intermediate Similarity NPC142599
0.8257 Intermediate Similarity NPC118202
0.8247 Intermediate Similarity NPC98772
0.8229 Intermediate Similarity NPC307235
0.8229 Intermediate Similarity NPC407
0.8218 Intermediate Similarity NPC107619
0.8182 Intermediate Similarity NPC138117
0.8182 Intermediate Similarity NPC325292
0.8182 Intermediate Similarity NPC317254
0.8163 Intermediate Similarity NPC300017
0.8163 Intermediate Similarity NPC151764
0.8144 Intermediate Similarity NPC104216
0.8144 Intermediate Similarity NPC27974
0.8125 Intermediate Similarity NPC155393
0.81 Intermediate Similarity NPC316301
0.81 Intermediate Similarity NPC27323
0.8081 Intermediate Similarity NPC270547
0.8081 Intermediate Similarity NPC45040
0.8081 Intermediate Similarity NPC204210
0.8073 Intermediate Similarity NPC146422
0.8058 Intermediate Similarity NPC228400
0.8058 Intermediate Similarity NPC214200
0.8036 Intermediate Similarity NPC137096
0.8021 Intermediate Similarity NPC286904
0.8021 Intermediate Similarity NPC150837
0.802 Intermediate Similarity NPC8392
0.802 Intermediate Similarity NPC26244
0.802 Intermediate Similarity NPC313650
0.8017 Intermediate Similarity NPC307020
0.8 Intermediate Similarity NPC181709
0.8 Intermediate Similarity NPC59387
0.7982 Intermediate Similarity NPC321133
0.7946 Intermediate Similarity NPC82963
0.7941 Intermediate Similarity NPC473388
0.7925 Intermediate Similarity NPC42383
0.7921 Intermediate Similarity NPC151715
0.7921 Intermediate Similarity NPC128062
0.7913 Intermediate Similarity NPC56634
0.79 Intermediate Similarity NPC306074
0.7895 Intermediate Similarity NPC283760
0.7895 Intermediate Similarity NPC319950
0.7879 Intermediate Similarity NPC70436
0.7876 Intermediate Similarity NPC311737
0.7876 Intermediate Similarity NPC38458
0.7876 Intermediate Similarity NPC283468
0.7864 Intermediate Similarity NPC225464
0.7864 Intermediate Similarity NPC260000
0.7864 Intermediate Similarity NPC77492
0.7843 Intermediate Similarity NPC274678
0.7822 Intermediate Similarity NPC210497
0.7822 Intermediate Similarity NPC162314
0.7822 Intermediate Similarity NPC94139
0.7822 Intermediate Similarity NPC3358
0.7822 Intermediate Similarity NPC306884
0.7822 Intermediate Similarity NPC55903
0.7822 Intermediate Similarity NPC147284
0.7815 Intermediate Similarity NPC218323
0.781 Intermediate Similarity NPC327226
0.7807 Intermediate Similarity NPC122009
0.78 Intermediate Similarity NPC300478
0.78 Intermediate Similarity NPC192
0.7797 Intermediate Similarity NPC171372
0.7788 Intermediate Similarity NPC106551
0.7788 Intermediate Similarity NPC122005
0.7788 Intermediate Similarity NPC80027
0.7788 Intermediate Similarity NPC281686
0.7788 Intermediate Similarity NPC252821
0.7788 Intermediate Similarity NPC280869
0.7788 Intermediate Similarity NPC92730
0.7788 Intermediate Similarity NPC128723
0.7788 Intermediate Similarity NPC188867
0.7778 Intermediate Similarity NPC19680
0.7767 Intermediate Similarity NPC82664
0.7767 Intermediate Similarity NPC292730
0.7767 Intermediate Similarity NPC202986
0.7767 Intermediate Similarity NPC132271
0.7767 Intermediate Similarity NPC216520
0.775 Intermediate Similarity NPC268763
0.775 Intermediate Similarity NPC8305
0.775 Intermediate Similarity NPC66177
0.7745 Intermediate Similarity NPC152415
0.7745 Intermediate Similarity NPC245187
0.7745 Intermediate Similarity NPC81010
0.7745 Intermediate Similarity NPC32977
0.7739 Intermediate Similarity NPC268572
0.7739 Intermediate Similarity NPC43275
0.7723 Intermediate Similarity NPC231150
0.7714 Intermediate Similarity NPC225506
0.7706 Intermediate Similarity NPC97811
0.7692 Intermediate Similarity NPC32674
0.7692 Intermediate Similarity NPC142577
0.7692 Intermediate Similarity NPC474862
0.7692 Intermediate Similarity NPC109955
0.767 Intermediate Similarity NPC107522
0.767 Intermediate Similarity NPC286006
0.767 Intermediate Similarity NPC144682
0.7667 Intermediate Similarity NPC305717
0.7667 Intermediate Similarity NPC236347
0.7667 Intermediate Similarity NPC323775
0.7664 Intermediate Similarity NPC147000
0.7664 Intermediate Similarity NPC304761
0.7664 Intermediate Similarity NPC150254
0.7664 Intermediate Similarity NPC226778
0.7658 Intermediate Similarity NPC166837
0.7647 Intermediate Similarity NPC271440
0.7636 Intermediate Similarity NPC172046
0.7623 Intermediate Similarity NPC259665
0.7623 Intermediate Similarity NPC126859
0.7623 Intermediate Similarity NPC89769
0.7619 Intermediate Similarity NPC132078
0.7619 Intermediate Similarity NPC245561
0.7619 Intermediate Similarity NPC78119
0.7619 Intermediate Similarity NPC171843
0.7619 Intermediate Similarity NPC216468
0.7619 Intermediate Similarity NPC51333
0.7611 Intermediate Similarity NPC115803
0.7607 Intermediate Similarity NPC284078
0.7596 Intermediate Similarity NPC259512
0.7596 Intermediate Similarity NPC312132
0.7586 Intermediate Similarity NPC239697
0.7583 Intermediate Similarity NPC318965
0.7573 Intermediate Similarity NPC289769
0.7573 Intermediate Similarity NPC76938
0.7573 Intermediate Similarity NPC20142
0.7573 Intermediate Similarity NPC215351
0.757 Intermediate Similarity NPC196479
0.7561 Intermediate Similarity NPC257390
0.7547 Intermediate Similarity NPC52472
0.7547 Intermediate Similarity NPC253746
0.7547 Intermediate Similarity NPC213730
0.7547 Intermediate Similarity NPC211885
0.7545 Intermediate Similarity NPC146530
0.7544 Intermediate Similarity NPC37302
0.7542 Intermediate Similarity NPC268348
0.7542 Intermediate Similarity NPC27581
0.7541 Intermediate Similarity NPC124802
0.7524 Intermediate Similarity NPC108606
0.7524 Intermediate Similarity NPC290515
0.7524 Intermediate Similarity NPC201967
0.7524 Intermediate Similarity NPC164514
0.7524 Intermediate Similarity NPC474073
0.7524 Intermediate Similarity NPC79241
0.7524 Intermediate Similarity NPC303611
0.7524 Intermediate Similarity NPC226096
0.7524 Intermediate Similarity NPC152097
0.7524 Intermediate Similarity NPC6597
0.7521 Intermediate Similarity NPC118522
0.7521 Intermediate Similarity NPC169207
0.7521 Intermediate Similarity NPC115627
0.7521 Intermediate Similarity NPC263835
0.75 Intermediate Similarity NPC222146
0.75 Intermediate Similarity NPC32714
0.75 Intermediate Similarity NPC120719
0.748 Intermediate Similarity NPC120251
0.7477 Intermediate Similarity NPC7686
0.7477 Intermediate Similarity NPC472585
0.7477 Intermediate Similarity NPC40258
0.7477 Intermediate Similarity NPC101025
0.7477 Intermediate Similarity NPC471578
0.7477 Intermediate Similarity NPC110764
0.7477 Intermediate Similarity NPC316052
0.7477 Intermediate Similarity NPC91461
0.7476 Intermediate Similarity NPC29373
0.7458 Intermediate Similarity NPC318357
0.7455 Intermediate Similarity NPC186469

  Similar Clinical/Approved Drugs

Similarity level is defined by Tanimoto coefficient (Tc) between two molecules.

●  The left chart: Distribution of similarity level between NPC289381 and all drugs/candidates.
●  The right table: Most similar clinical/approved drugs (Tc>=0.56 or Top200).

Similarity Score Similarity Level Drug ID Developmental Stage
0.8911 High Similarity NPD1444 Approved
0.8911 High Similarity NPD1445 Approved
0.89 High Similarity NPD9610 Approved
0.89 High Similarity NPD9608 Approved
0.8857 High Similarity NPD2229 Approved
0.8857 High Similarity NPD2234 Approved
0.8857 High Similarity NPD2228 Approved
0.8654 High Similarity NPD1792 Phase 2
0.8495 Intermediate Similarity NPD111 Approved
0.8426 Intermediate Similarity NPD1791 Approved
0.8426 Intermediate Similarity NPD1793 Approved
0.8378 Intermediate Similarity NPD4093 Discontinued
0.8364 Intermediate Similarity NPD16 Approved
0.8364 Intermediate Similarity NPD856 Approved
0.8364 Intermediate Similarity NPD317 Approved
0.8364 Intermediate Similarity NPD318 Approved
0.8302 Intermediate Similarity NPD9380 Clinical (unspecified phase)
0.8288 Intermediate Similarity NPD5304 Approved
0.8288 Intermediate Similarity NPD5303 Approved
0.8142 Intermediate Similarity NPD1751 Approved
0.8142 Intermediate Similarity NPD5238 Clinical (unspecified phase)
0.8125 Intermediate Similarity NPD2226 Clinical (unspecified phase)
0.81 Intermediate Similarity NPD2933 Approved
0.81 Intermediate Similarity NPD1432 Clinical (unspecified phase)
0.81 Intermediate Similarity NPD2934 Approved
0.8073 Intermediate Similarity NPD9377 Approved
0.8073 Intermediate Similarity NPD9379 Approved
0.8036 Intermediate Similarity NPD9616 Approved
0.8036 Intermediate Similarity NPD9613 Approved
0.8036 Intermediate Similarity NPD9615 Approved
0.802 Intermediate Similarity NPD2859 Approved
0.802 Intermediate Similarity NPD2860 Approved
0.8017 Intermediate Similarity NPD4659 Approved
0.7982 Intermediate Similarity NPD2667 Approved
0.7982 Intermediate Similarity NPD2668 Approved
0.7981 Intermediate Similarity NPD854 Approved
0.7981 Intermediate Similarity NPD855 Approved
0.7965 Intermediate Similarity NPD316 Approved
0.7931 Intermediate Similarity NPD2561 Approved
0.7931 Intermediate Similarity NPD2562 Approved
0.7881 Intermediate Similarity NPD4104 Clinical (unspecified phase)
0.7881 Intermediate Similarity NPD4103 Phase 2
0.781 Intermediate Similarity NPD4817 Approved
0.781 Intermediate Similarity NPD4818 Approved
0.7797 Intermediate Similarity NPD9634 Clinical (unspecified phase)
0.7788 Intermediate Similarity NPD3020 Approved
0.7788 Intermediate Similarity NPD9568 Approved
0.7768 Intermediate Similarity NPD9618 Approved
0.7768 Intermediate Similarity NPD9614 Approved
0.7759 Intermediate Similarity NPD1671 Clinical (unspecified phase)
0.7759 Intermediate Similarity NPD2688 Clinical (unspecified phase)
0.775 Intermediate Similarity NPD3637 Approved
0.775 Intermediate Similarity NPD3636 Approved
0.775 Intermediate Similarity NPD3635 Approved
0.7731 Intermediate Similarity NPD1133 Approved
0.7731 Intermediate Similarity NPD1135 Approved
0.7731 Intermediate Similarity NPD1134 Approved
0.7731 Intermediate Similarity NPD1131 Approved
0.7731 Intermediate Similarity NPD3055 Approved
0.7731 Intermediate Similarity NPD3053 Approved
0.7731 Intermediate Similarity NPD1129 Approved
0.7699 Intermediate Similarity NPD255 Approved
0.7699 Intermediate Similarity NPD256 Approved
0.7692 Intermediate Similarity NPD5350 Clinical (unspecified phase)
0.7692 Intermediate Similarity NPD5351 Clinical (unspecified phase)
0.7686 Intermediate Similarity NPD2606 Approved
0.7686 Intermediate Similarity NPD2605 Approved
0.767 Intermediate Similarity NPD844 Approved
0.767 Intermediate Similarity NPD1809 Phase 2
0.7667 Intermediate Similarity NPD9621 Approved
0.7667 Intermediate Similarity NPD9619 Approved
0.7667 Intermediate Similarity NPD9620 Approved
0.7664 Intermediate Similarity NPD10 Approved
0.7664 Intermediate Similarity NPD309 Approved
0.7664 Intermediate Similarity NPD314 Approved
0.7664 Intermediate Similarity NPD315 Approved
0.7664 Intermediate Similarity NPD310 Approved
0.7664 Intermediate Similarity NPD311 Approved
0.7647 Intermediate Similarity NPD5311 Approved
0.7647 Intermediate Similarity NPD5310 Approved
0.7647 Intermediate Similarity NPD845 Approved
0.7642 Intermediate Similarity NPD940 Approved
0.7642 Intermediate Similarity NPD846 Approved
0.7623 Intermediate Similarity NPD5156 Approved
0.7623 Intermediate Similarity NPD5155 Approved
0.7607 Intermediate Similarity NPD3421 Phase 3
0.7596 Intermediate Similarity NPD288 Approved
0.757 Intermediate Similarity NPD3683 Approved
0.757 Intermediate Similarity NPD4658 Approved
0.757 Intermediate Similarity NPD4231 Approved
0.757 Intermediate Similarity NPD4656 Approved
0.757 Intermediate Similarity NPD3681 Approved
0.757 Intermediate Similarity NPD3682 Approved
0.757 Intermediate Similarity NPD3680 Approved
0.757 Intermediate Similarity NPD4229 Approved
0.7563 Intermediate Similarity NPD1755 Approved
0.7541 Intermediate Similarity NPD3595 Approved
0.7541 Intermediate Similarity NPD3594 Approved
0.7524 Intermediate Similarity NPD9609 Approved
0.7524 Intermediate Similarity NPD9611 Approved
0.7524 Intermediate Similarity NPD9612 Approved
0.7521 Intermediate Similarity NPD9381 Approved
0.7521 Intermediate Similarity NPD9384 Approved
0.7479 Intermediate Similarity NPD2232 Approved
0.7479 Intermediate Similarity NPD2233 Approved
0.7479 Intermediate Similarity NPD2230 Approved
0.7456 Intermediate Similarity NPD595 Approved
0.7456 Intermediate Similarity NPD593 Approved
0.7455 Intermediate Similarity NPD4095 Clinical (unspecified phase)
0.7436 Intermediate Similarity NPD4235 Clinical (unspecified phase)
0.7419 Intermediate Similarity NPD598 Approved
0.7419 Intermediate Similarity NPD601 Approved
0.7419 Intermediate Similarity NPD597 Approved
0.7417 Intermediate Similarity NPD6583 Phase 3
0.7417 Intermediate Similarity NPD9622 Approved
0.7417 Intermediate Similarity NPD6582 Phase 2
0.7411 Intermediate Similarity NPD4254 Approved
0.7411 Intermediate Similarity NPD4253 Approved
0.7383 Intermediate Similarity NPD289 Clinical (unspecified phase)
0.7383 Intermediate Similarity NPD1242 Phase 1
0.7377 Intermediate Similarity NPD7451 Discontinued
0.736 Intermediate Similarity NPD1130 Approved
0.736 Intermediate Similarity NPD1132 Approved
0.736 Intermediate Similarity NPD829 Discontinued
0.736 Intermediate Similarity NPD1136 Approved
0.7358 Intermediate Similarity NPD9273 Approved
0.735 Intermediate Similarity NPD1759 Phase 1
0.735 Intermediate Similarity NPD2486 Discontinued
0.7333 Intermediate Similarity NPD2337 Clinical (unspecified phase)
0.7312 Intermediate Similarity NPD9087 Approved
0.728 Intermediate Similarity NPD2028 Clinical (unspecified phase)
0.7273 Intermediate Similarity NPD3676 Clinical (unspecified phase)
0.7265 Intermediate Similarity NPD1758 Phase 1
0.7257 Intermediate Similarity NPD4025 Clinical (unspecified phase)
0.7257 Intermediate Similarity NPD9376 Approved
0.7236 Intermediate Similarity NPD599 Approved
0.7236 Intermediate Similarity NPD602 Approved
0.7236 Intermediate Similarity NPD858 Approved
0.7236 Intermediate Similarity NPD6584 Phase 3
0.7236 Intermediate Similarity NPD2195 Approved
0.7236 Intermediate Similarity NPD859 Approved
0.7236 Intermediate Similarity NPD2194 Approved
0.7232 Intermediate Similarity NPD4720 Approved
0.7232 Intermediate Similarity NPD4717 Approved
0.7232 Intermediate Similarity NPD4718 Approved
0.7222 Intermediate Similarity NPD6405 Approved
0.7222 Intermediate Similarity NPD6407 Approved
0.7209 Intermediate Similarity NPD1753 Discontinued
0.72 Intermediate Similarity NPD3136 Phase 2
0.7193 Intermediate Similarity NPD2500 Approved
0.7193 Intermediate Similarity NPD2499 Approved
0.7188 Intermediate Similarity NPD3052 Approved
0.7188 Intermediate Similarity NPD2568 Approved
0.7188 Intermediate Similarity NPD3054 Approved
0.7182 Intermediate Similarity NPD179 Clinical (unspecified phase)
0.7179 Intermediate Similarity NPD3596 Phase 2
0.7168 Intermediate Similarity NPD3021 Approved
0.7168 Intermediate Similarity NPD3022 Approved
0.7167 Intermediate Similarity NPD3294 Phase 2
0.7165 Intermediate Similarity NPD3062 Approved
0.7165 Intermediate Similarity NPD3059 Approved
0.7165 Intermediate Similarity NPD3061 Approved
0.7143 Intermediate Similarity NPD2595 Approved
0.7143 Intermediate Similarity NPD2594 Approved
0.7132 Intermediate Similarity NPD3552 Approved
0.7132 Intermediate Similarity NPD3554 Approved
0.7132 Intermediate Similarity NPD3555 Approved
0.7132 Intermediate Similarity NPD3553 Approved
0.7131 Intermediate Similarity NPD1669 Approved
0.713 Intermediate Similarity NPD821 Approved
0.713 Intermediate Similarity NPD1105 Clinical (unspecified phase)
0.7087 Intermediate Similarity NPD2674 Phase 3
0.7087 Intermediate Similarity NPD5745 Approved
0.7087 Intermediate Similarity NPD5729 Clinical (unspecified phase)
0.7073 Intermediate Similarity NPD7258 Clinical (unspecified phase)
0.7064 Intermediate Similarity NPD3028 Approved
0.7059 Intermediate Similarity NPD6581 Approved
0.7059 Intermediate Similarity NPD6580 Approved
0.7054 Intermediate Similarity NPD817 Approved
0.7054 Intermediate Similarity NPD5314 Approved
0.7054 Intermediate Similarity NPD810 Approved
0.7054 Intermediate Similarity NPD811 Approved
0.7054 Intermediate Similarity NPD812 Approved
0.7054 Intermediate Similarity NPD823 Approved
0.7043 Intermediate Similarity NPD228 Approved
0.704 Intermediate Similarity NPD9569 Approved
0.7034 Intermediate Similarity NPD6775 Clinical (unspecified phase)
0.7031 Intermediate Similarity NPD2238 Phase 2
0.7031 Intermediate Similarity NPD6346 Approved
0.701 Intermediate Similarity NPD9088 Approved
0.7009 Intermediate Similarity NPD475 Phase 2
0.7008 Intermediate Similarity NPD3144 Approved
0.7008 Intermediate Similarity NPD3056 Clinical (unspecified phase)
0.7008 Intermediate Similarity NPD3145 Approved
0.7 Intermediate Similarity NPD6830 Clinical (unspecified phase)
0.7 Intermediate Similarity NPD4719 Phase 2
0.6992 Remote Similarity NPD1421 Approved
0.6992 Remote Similarity NPD1420 Approved
0.6992 Remote Similarity NPD2428 Approved
0.6992 Remote Similarity NPD2429 Approved

Structure

External Identifiers

PubChem CID   77147;44655713
ChEMBL   CHEMBL2165405
ZINC  

Physicochemical Properties

Molecular Weight:  165.12
ALogP:  0.0247
MLogP:  2.34
XLogP:  1.733
# Rotatable Bonds:  6
Polar Surface Area:  23.47
# H-Bond Aceptor:  1
# H-Bond Donor:  1
# Rings:  1
# Heavy Atoms:  12

Download Data

Data Type Select
General Info & Identifiers & Properties  
Structure MOL file  
Source Organisms  
Biological Activities  
Similar NPs/Drugs