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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
[(2S,3R,4S,5R,6S)-6-[(2S,3S,4R,5R,6S)-5-decanoyloxy-2-methyl-6-[[(1R,3S,5S,6R,7R,8R,20S,22R,24R,25R,26S)-7,25,26-trihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl]oxy-4,5-dihydroxy-2-methyloxan-3-yl] dodecanoate
1321.70
10.9
8
24
333.04
32
3-Ammoniopyrrolidine-3-carboxylate
130.15
-3.2
2
3
79.8
0
(3R,5R)-1-methylpiperidine-3,4,5-triol
147.17
-1.8
3
4
63.93
0
(1R,5R)-6,6-dimethyl-2-methylidenebicyclo[3.1.1]heptan-3-one
150.22
2.2
0
1
17.07
0
Ethyl 3,3,4-trimethylpentanoate
172.26
2.9
0
2
26.3
5
Hyacinthacine A2
173.21
-0.7
3
4
63.93
1
(2E,8E)-9-(Furan-2-yl)nona-2,8-dien-4,6-diyn-1-ol
198.22
2.2
1
2
33.37
3
(2S)-2-hydroxy-3-(2-hydroxyphenyl)propanoic acid
182.17
0.8
3
4
77.76
3
Saikochromone A
222.19
-0.1
2
5
79.9
2
methyl 2-oxo-4-[(2Z)-1-oxobut-2-en-2-yl]-3,4-dihydro-2H-pyran-5-carboxylate
224.21
0.2
0
5
69.67
4
Eucalyptene A
230.26
2.4
0
3
35.53
6
Herbertenediol
234.33
4.8
2
2
40.46
1
Curcumanolides A
234.33
4.3
0
2
26.3
1
(4aR,5S,8R,8aS)-8-hydroxy-3,8-dimethyl-5-propan-2-yl-1,4a,5,6,7,8a-hexahydronaphthalen-2-one
236.35
2.6
1
2
37.3
1
Atanine
243.30
3
1
2
42.09
3
Phenol, 3-[2-(4-hydroxyphenyl)ethyl]-5-methoxy-
244.28
3.4
2
3
49.69
4
Arctinone B
246.40
3.8
0
3
73.55
3
7-Tridecanone
198.34
4.9
0
1
17.07
10
Hippacine
251.24
2.5
2
3
61.94
0
(2R,3R)-3-(4-hydroxy-3-methoxyphenyl)-2-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
386.40
2.1
2
8
107.59
4
(2Z,4E)-4-[Cyano(I(2)-D-glucopyranosyloxy)methylene]-2-hexenedioic acid
359.28
-1.8
6
11
197.77
7
2-Acetyl-5-hydroxynaphtho[2,3-b]furan-4,9-dione
256.21
2.5
1
5
84.58
1
(114C)heptadecan-1-ol
258.46
7.8
1
1
20.23
15
2-Hydroxy-6-(hydroxymethyl)-7,8-dimethoxynaphthalene-1-carbaldehyde
262.26
1.9
2
5
75.99
4
Allo-schkuhriolide
262.30
1.1
1
4
63.6
1
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