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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
4,5-Dibromo-1h-pyrrole-2-carboxamide
267.91
1.6
2
1
58.88
1
Elongatin
396.40
3.9
2
7
98.36
3
4'-Demethyltoxicarol isoflavone
396.40
3.9
2
7
98.36
3
Toxicarolisoflavone
410.40
4.2
1
7
87.36
4
5-Methoxy-8,8-dimethyl-3-(2,4,5-trimethoxyphenyl)pyrano[2,3-h]chromen-4-one
424.40
4
0
7
76.36
5
(S)-5-Hydroxy-7-methoxy-2-(4-methoxyphenyl)chroman-4-one
300.30
3
1
5
64.99
3
(2R)-5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-2,3-dihydrochromen-4-one
300.30
3
1
5
64.99
3
Dehydrodigallic acid
338.22
0.7
7
10
184.98
4
Gibberellin A35
348.40
0.5
3
6
104.06
1
3,12,13-Trihydroxy-11-methyl-6-methylidene-16-oxo-15-oxapentacyclo[9.3.2.15,8.01,10.02,8]heptadecane-9-carboxylic acid
364.40
-0.5
4
7
124.29
1
Gibberellin A9 methyl ester
330.40
3
0
4
52.6
2
Onind
668.70
5.6
7
12
226.96
10
omega-(10-Phenyldecyl)catechol
326.50
7.8
2
2
40.46
11
3-(12-Phenyldodecyl)catechol
354.50
8.8
2
2
40.46
13
4-(10-Phenyldecyl)benzene-1,2-diol
326.50
7.6
2
2
40.46
11
4-(12-Phenyldodecyl)catechol
354.50
8.7
2
2
40.46
13
2-Methyl-3-nonacosanone
436.80
14.3
0
1
17.07
26
2,3-Dimethoxy-1-methyl-4-(propan-2-yl)benzene
194.27
3.4
0
2
18.46
3
(E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enoic acid
234.33
3.9
1
2
37.3
4
(E)-5-[(1S,5S,6S)-2,6-dimethyl-6-bicyclo[3.1.1]hept-2-enyl]-2-methylpent-2-en-1-ol
220.35
3.6
1
1
20.23
4
(E)-5-((1R,3R,6S)-2,3-Dimethyltricyclo[2.2.1.02,6]heptan-3-yl)-2-methylpent-2-enal
218.33
3.8
0
1
17.07
4
(E)-5-[(3R)-2,3-dimethyl-3-tricyclo[2.2.1.02,6]heptanyl]-2-methylpent-2-enal
218.33
3.8
0
1
17.07
4
(E)-2-Methyl-5-((1S,2R,4R)-2-methyl-3-methylenebicyclo[2.2.1]heptan-2-yl)pent-2-enoic acid
234.33
4
1
2
37.3
4
(2S,4aR,6aR,6aS,6bR,8aR,9S,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
486.70
5.2
3
5
94.83
2
(2S,4aR,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-hydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-4-oxo-3,5,6,6a,7,8,8a,10,11,12,13,14b-dodecahydro-1H-picene-2-carboxylic acid
486.70
5.2
3
5
94.83
2
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