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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-(Furan-3-yl)-6-(hydroxymethyl)-3,3-dimethylcyclopenta[c]pyran-7-one
258.27
1.4
1
4
59.67
2
(3R,3aS,4R,8S,8aS)-5-(methoxymethyl)-8a-methyl-3-propan-2-yl-2,3,3a,4,7,8-hexahydro-1H-azulene-4,8-diol
268.39
2
2
3
49.69
3
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[(1R)-1-phenylethoxy]oxane-3,4,5-triol
284.30
-0.3
4
6
99.38
4
5-Hydroxy-6-methoxy-2-(2-phenylethyl)chromone
296.30
3.9
1
4
59.67
4
(2E,6E)-7-(1,3-Benzodioxol-5-yl)-1-(1-pyrrolidinyl)-2,6-heptadien-1-one
299.40
3.7
0
3
38.77
5
(11R,12S,13S)-Epoxy-hydroxyoctadeca-cis-9-cis-15-dien-1-oic acid
310.40
3.9
2
4
70.06
13
Pyrenophorol
312.36
1.4
2
6
93.06
0
(3R,4R)-3-(1,3-benzodioxol-5-ylmethyl)-4-[(4-hydroxyphenyl)methyl]oxolan-2-one
326.30
3.5
1
5
64.99
4
9S,12S,13S-trihydroxy-10E,15Z-octadecadienoic acid
328.40
2.6
4
5
97.99
14
3-[(3,4-dimethoxyphenyl)methyl]-7-hydroxy-5-methoxy-3H-2-benzofuran-1-one
330.30
3.4
1
6
74.22
5
(2R,3R,4S,5S,6R)-2-[(E,3R)-3,10-dihydroxydec-8-en-4,6-diynoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
342.34
-1.9
6
8
139.84
7
Caesalmin G
346.40
2.3
2
5
79.9
0
[(2R,3R,4aR,5S,8aR)-3-hydroxy-1,1,4a-trimethyl-6-methylidene-5-[(2E)-3-methylpenta-2,4-dienyl]-3,4,5,7,8,8a-hexahydro-2H-naphthalen-2-yl] acetate
346.50
5.3
1
3
46.53
5
2-[(1S,2S,4S,6R,7R,8R,10R,11R)-6,8-dihydroxy-11-methyl-5-methylidene-13-azapentacyclo[9.3.3.24,7.01,10.02,7]nonadecan-13-yl]acetaldehyde
359.50
2.2
2
4
60.77
2
(2S)-5,6,7,3',4'-Pentamethoxyflavanone
374.40
2.8
0
7
72.45
6
(5S)-3-[(3R)-3-hydroxybutyl]-2,4,4-trimethyl-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxycyclohex-2-en-1-one
388.50
-0.5
5
8
136.68
6
(3S,3aS,5S,6S)-3-[(1R,3R,4S)-3-bromo-4-hydroxy-4-methylcyclohexyl]-1,3,6-trimethyl-2,3a,4,5,7,8-hexahydroazulene-5,6-diol
401.40
2.5
3
3
60.69
1
Eurycolactone F
408.40
0
3
8
130.36
2
Tithofolinolide
410.50
1.7
2
8
119.36
5
(1S,3aS,4R,7R,8aR)-4-(hydroxymethyl)-1-methyl-7-[2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxypropan-2-yl]-3,3a,4,5,6,7,8,8a-octahydro-1H-azulen-2-one
416.50
-0.2
5
8
136.68
5
(1S,4R,13S,16E,19R)-4,15,15,19-tetramethyl-5,20-dioxapentacyclo[17.8.0.04,13.06,11.021,26]heptacosa-6,8,10,16,21,23,25-heptaene
416.60
7.7
0
2
18.46
0
(3R,5S,7R,8R,9S,10S,12S,13R,14S,17R)-17-[(2R,5R)-5,7-dihydroxyheptan-2-yl]-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene-3,7,12-triol
438.60
3.5
5
5
101.15
6
4beta-(2-Aminoethylthio)-epicatechin
365.40
-0.4
6
8
161.7
4
(5aS,6S,7R,9aS)-6-[2-[(3S,5aS,6R,9aS)-3-hydroxy-2,2,5a-trimethyl-7-methylidene-4,5,6,8,9,9a-hexahydro-3H-benzo[b]oxepin-6-yl]ethyl]-7-hydroxy-2,2,5a,7-tetramethyl-4,5,6,8,9,9a-hexahydrobenzo[b]oxepin-3-one
490.70
4.5
2
5
75.99
3
3,4,5-Trihydroxy-1-cyclohexene-1-carboxylic acid
174.15
-1.7
4
5
97.99
1
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