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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
Chondrocurine
594.70
6
2
8
83.86
2
(3S,3aR,4S,9aR,9bR)-4-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,9a,9b-hexahydroazuleno[4,5-b]furan-2,7-dione
278.30
-0.6
2
5
83.83
1
(1R,3S,5R,6R,9R,11R,15S,16R,17R,18S,33R,35S,36R,37S)-33-[(2R,3S,4S,5S,6R)-4-amino-3,5-dihydroxy-6-methyloxan-2-yl]oxy-1,3,5,6,9,11,17,37-octahydroxy-15,16,18-trimethyl-13-oxo-14,39-dioxabicyclo[33.3.1]nonatriaconta-19,21,23,25,27,29,31-heptaene-36-carboxylic acid
924.10
0
12
18
319.61
3
Antimycin A
548.60
5.3
3
9
157.33
12
4,5-Dioxodehydrocrebanine
365.30
3.2
0
6
74.3
2
Dehydrocrebanine
337.40
4.3
0
5
40.16
2
(E)-2-benzyl-3-(4-hydroxyphenyl)prop-2-enoic acid
254.28
3.4
2
3
57.53
4
9,10,13-Trihydroxyoctadec-11-enoic acid
330.50
3.1
4
5
97.99
15
Vancomycin
1449.20
-2.6
19
26
530.49
13
1,8,15-Heptadecatriene-11,13-diyne
226.36
6
0
0
0
8
2-(Methoxymethyl)-1,3-dihydroxyanthraquinone
284.26
2.4
2
5
83.83
2
2-Anthracenecarboxylic acid, 9,10-dihydro-1,3-dihydroxy-9,10-dioxo-, methyl ester
298.25
3.1
2
6
100.9
2
Isotussilagine
199.25
0.6
1
4
49.77
2
5-Acetylfurfural
138.12
0.8
0
3
47.28
2
Glycyrrhizin
822.90
3.7
8
16
267.04
7
5-[14-(3,5-Dihydroxyphenyl)tetradecyl]-2-methylbenzene-1,3-diol
428.60
9.6
4
4
80.92
15
Alpha-Tocopherol
430.70
10.7
1
2
29.46
12
2H-1-Benzopyran-6-ol, 3,4-dihydro-2,7,8-trimethyl-2-(4,8,12-trimethyltridecyl)-
416.70
10.3
1
2
29.46
12
Lysergol
254.33
2.2
2
2
39.26
1
(3R)-3-hydroxy-4-methoxy-4-oxobutanoic acid
148.11
-1
2
5
83.83
4
Aloin B
418.40
-0.1
7
9
167.91
3
2-[(1E,3E,5E,7E,9E)-3,8-dimethyl-10-(2,6,6-trimethylcyclohexen-1-yl)deca-1,3,5,7,9-pentaenyl]-1,3,3-trimethylcyclohexene
404.70
9.7
0
0
0
6
Gomisin G
536.60
5
1
9
101.91
7
Gomisin M2, (+)-
386.40
4.8
1
6
66.38
3
Benzoylgomisin H
522.60
5.5
1
8
92.68
8
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