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SCFBio, IIT Delhi Hauz Khas, New Delhi

Chemical Library

Physicochemical properties (MW, LogP) of all entries.

Total Rows 105,909
Pages 4,237
BIMP_ID Name Mol Weight LogP HBD HBA TPSA Rotatable Bonds
1,2-Benzoquinone
108.09
0.4
0
2
34.14
0
[(Z)-4-[8-[(2E)-3,7-dimethylocta-2,6-dienyl]-1,3,6-trihydroxy-7-methoxy-9-oxoxanthen-2-yl]-2-methylbut-2-enyl] acetate
536.60
7.5
3
8
126.43
11
1-O-Deacetylohchinolide B
582.70
3.4
1
9
121.5
6
Cryptophycin 327
655.20
6.2
2
8
132.56
8
cyclo-(Gly1-Leu-Pro1-Gly2-Phe-Tyr-Pro2)
731.80
2.2
6
8
206.35
6
Dimethyl lithospermate B
746.70
4.6
7
16
256.04
16
(2R,3R,4S,5S,6R)-2-[[(1R,3R,5S,8S,9S,10S,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-1-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-16-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
760.90
2.3
10
14
239.22
11
(2S,3R,4S,5R)-2-[[(3R,3aS,4S,5aR,5bR,7S,7aR,9S,11aR,11bR,13aR,13bR)-3-(2-hydroxypropan-2-yl)-5a,5b,8,8,11a,13b-hexamethyl-4,7-bis[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy]-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-9-yl]oxy]oxane-3,4,5-triol
873.10
1.1
10
16
257.68
7
1,4-Dideoxy-1,4-epithio-d-arabinitol
150.20
-0.7
3
4
85.99
1
(6R,7aS)-6-hydroxy-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
154.16
-0.1
1
3
46.53
0
4-[(1R,3R,5S,8R)-3-hydroxy-1,5-dimethyl-6-oxabicyclo[3.2.1]octan-8-yl]butan-2-one
226.31
0.9
1
3
46.53
3
2-[(4R,4aS)-4,7-dimethyl-2,3,4,4a,5,6-hexahydronaphthalen-1-yl]prop-2-enoic acid
232.32
3
1
2
37.3
2
2-[(4-methylphenyl)methylamino]benzoic Acid
241.28
4
2
3
49.33
4
(1r,2s)-1-(2,4,5-Trimethoxyphenyl)-propane-1,2-diol
242.27
0.7
2
5
68.15
5
(9R)-4-methoxy-9H-fluorene-2,5,9-triol
244.24
1.7
3
4
69.92
1
(3S,5R,6R)-10-(hydroxymethyl)-3-(3-hydroxyprop-1-en-2-yl)-6-methylspiro[4.5]dec-9-en-8-one
250.33
1.5
2
3
57.53
3
Heliannuol D
250.33
3
2
3
49.69
1
2-[(2R,7R,8S,8aR)-7-hydroxy-8,8a-dimethyl-2,3,5,6,7,8-hexahydro-1H-naphthalen-2-yl]propane-1,2-diol
254.36
1.3
3
3
60.69
2
Dihydrotanshinone I
278.30
3.2
0
3
43.37
0
1-Methoxyspirobrassinin
280.40
2
0
5
92.5
2
(1S)-1-[(4-hydroxyphenyl)methyl]-2-methyl-3,4-dihydro-1H-isoquinoline-6,7-diol
285.34
2.7
3
4
63.93
2
1-[1-Oxo-3(3,4-methylenedioxy-5-methoxyphenyl)-2z-propenyl]piperidine
289.33
2.4
0
4
48
3
cis-9,10-Methyleneoctadecanoic acid
296.50
7.2
1
2
37.3
15
(2S,4aR,5S,8aR)-5-[(3S)-3-hydroxy-3-methylpent-4-enyl]-1,1,4a-trimethyl-6-methylidene-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-ol
306.50
4.2
2
2
40.46
4
2-Hydroxy-4-(methylthio)butyric acid
150.20
0.2
2
4
82.83
4
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