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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)-4-[(2R,13R)-2,13-dihydroxy-13-[(2S,5S)-5-[(1S)-1-hydroxytridecyl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
580.90
10.3
3
6
96.22
26
[(3S,6R,8S,11R,12S,15S,16R,19S,21R)-19-hydroxy-3,7,7,11,16,20,20-heptamethyl-8-pentacyclo[13.8.0.03,12.06,11.016,21]tricos-1(23)-enyl] 3-(4-hydroxyphenyl)propanoate
590.90
9.7
2
4
66.76
5
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-[(2R,3S)-3-(hydroxymethyl)-5-(3-hydroxypropyl)-7-methoxy-2,3-dihydro-1-benzofuran-2-yl]-2-methoxyphenoxy]oxane-3,4,5-triol
654.70
-1.5
8
15
226.45
13
methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-15,16-dihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
682.70
-0.9
6
16
245.04
8
Tephrosin
410.40
3
1
7
83.45
2
staminol C
692.70
4.3
3
12
182.96
11
Jacoline
369.40
-0.1
3
8
116.53
1
(6Z,9Z,17R)-17-hydroxy-N-[2-[5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1H-indol-3-yl]ethyl]octadeca-6,9-dienamide
778.90
2.4
10
13
243.65
23
[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[[(1R,3R,5S,8S,9S,10S,13S,14S,16S,17R)-3-hydroxy-17-[(2S,3S)-3-hydroxy-6-methylheptan-2-yl]-10,13-dimethyl-16-[(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-1-yl]oxy]oxan-2-yl]methyl 3,4,5-trimethoxybenzoate
955.10
3.9
9
18
272.98
17
Tanshinone I
276.30
3.7
0
3
47.28
0
Kalopanaxsaponin B
1221.40
-2
15
26
412.82
14
(4R,4aS,5R,7aS)-5-hydroxy-4,7-bis(hydroxymethyl)-4,4a,5,7a-tetrahydro-1H-cyclopenta[c]pyran-3-one
214.21
-1.5
3
5
86.99
2
Kankanol
220.65
0
2
4
58.92
0
s-Dihydrodaidzein
256.25
2.4
2
4
66.76
1
(E)-1-(3,4-dimethoxyphenyl)oct-4-en-3-one
262.34
3.2
0
3
35.53
8
Sagittine A
302.50
5.5
1
2
37.3
2
(1S,3R,4S,9R,10R,13S,16R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene-3,16-diol
304.50
4.2
2
2
40.46
0
blumiolide-A
332.40
1.9
1
4
63.6
3
5,7-Dihydroxy-2-(4-methoxyphenyl)-4-oxochromene-6-sulfonic acid
364.30
1.4
3
8
142.65
3
5,6-Dihydrodibenzo(a,g)quinolizinium
232.30
3.9
0
0
3.88
0
GomisinR
400.40
3.9
1
7
75.61
2
2-Carboxyl-3,4'-dihydroxy-5-beta-d-xylo-pyranosyl-oxybibenzyl
406.40
1.4
6
9
156.91
6
methyl (1S,4aS,6S,7R,7aS)-6,7-dihydroxy-7-(hydroxymethyl)-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
422.40
-3.1
7
12
195.6
6
[3-hydroxy-4-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl 3,4-dihydroxybenzoate
438.40
0
7
11
186.37
7
1-(2,3-Dihydroxy-3-methylbutyl)-3,6,8-trihydroxy-2-methoxy-7-(3-methylbut-2-enyl)xanthen-9-one
444.50
3.9
5
8
140.59
6
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