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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
3-Vinylpyridine
105.14
1.4
0
1
12.89
1
2-Pyridinecarboxaldehyde
107.11
0.4
0
2
29.96
1
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
315.40
3.5
1
4
49.77
5
[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl (E)-3-(4-hydroxyphenyl)prop-2-enoate
315.40
3.5
1
4
49.77
5
5alpha9alphaDihydroxymatrine
280.36
-0.5
2
4
64.01
0
erythro-Guaiacylglycerol beta-coniferyl ether
376.40
1.5
4
7
108.61
9
threo-Guaiacylglycerol beta-coniferyl ether
376.40
1.5
4
7
108.61
9
Balaphonin
356.40
2
2
6
85.22
6
(2E)-3-[2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-7-methoxy-2,3-dihydro-1-benzofuran-5-yl]prop-2-enoic acid
372.40
2.1
3
7
105.45
6
5-Hydroxy-2-methylpyridine
109.13
0.8
1
2
33.12
0
2-Methylheptacosane
394.80
15.1
0
0
0
24
9-Methyloctacosane
408.80
15.6
0
0
0
25
7,8-Dimethoxycoumarin
206.19
1.9
0
4
48.67
2
Eicos-11-enoic acid
310.50
7.6
1
2
37.3
17
7-[3-[3,4-Dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
580.50
-0.7
9
15
249.2
7
7-[(2S,3R,4S,5S,6R)-3-[(2S,3R,4S)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2-(3,4-dihydroxyphenyl)-5-hydroxychromen-4-one
580.50
-0.7
9
15
249.2
7
[(3S,5S,8S,9R,10S,12R,13R,14R,17S)-3,8,14,17-tetrahydroxy-17-(1-hydroxyethyl)-10,13-dimethyl-1,2,3,4,5,6,7,9,11,12,15,16-dodecahydrocyclopenta[a]phenanthren-12-yl] benzoate
488.60
2.3
5
7
127.45
4
4-Acetylpyridine
121.14
0.5
0
2
29.96
1
2-(4-hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one
356.30
2.2
2
7
98.36
3
2-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-2,3-dihydro-7H-pyrano[2,3-g][1,4]benzodioxin-7-one
386.40
2.1
2
8
107.59
4
2-(4-Hydroxy-3-methoxyphenyl)-3-(hydroxymethyl)-5-methoxy-2,3-dihydropyrano[3,2-h][1,4]benzodioxin-9-one
386.40
2.1
2
8
107.59
4
Heptazoline
295.30
4.6
3
3
73.32
3
10-hydroxy-3,3-dimethyl-2,11-dihydro-1H-pyrano[3,2-a]carbazole-5-carbaldehyde
295.30
3.5
2
3
62.32
1
1-Methoxy-2-(3-methylbut-2-en-1-yl)-9H-carbazole-3-carbaldehyde
293.40
4.7
1
2
42.09
4
3,11-Dihydro-10-methoxy-3,3,5-trimethylpyrano[3,2-a]carbazole
293.40
4.6
1
2
34.25
1
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