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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
Penniclavine
270.33
1.1
3
3
59.49
1
Ergotaminine
581.70
2
3
6
118.21
4
4-Methylcyclohexanone
112.17
1.4
0
1
17.07
0
Taraxasterol
426.70
9.1
1
1
20.23
0
[(2S,3R,4S,5S,6R)-6-[[(2S,3R,4R,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxymethyl]-3,4,5-trihydroxyoxan-2-yl] (E)-3-phenylprop-2-enoate
442.40
-1.5
6
11
175.37
8
Echinulin
461.60
7
3
2
73.99
8
4'-Phosphopantetheine
358.35
-2.1
6
8
193.8
10
(R)-thiomorpholine-3-carboxylic acid
147.20
-2.4
2
4
74.63
1
(2S)-2-[2,2-dimethyl-8-(3-methylbut-2-enyl)-3,4-dihydrochromen-6-yl]-8,8-dimethyl-2,3,9,10-tetrahydropyrano[2,3-h]chromen-4-one
460.60
6.8
0
4
44.76
3
3-(8-Pentadecenyl)catechol
318.50
8.1
2
2
40.46
13
2,5-Dimethylpyridine
107.15
1.6
0
1
12.89
0
Methyl sterculate
308.50
6.8
0
2
26.3
16
Sarcaglaboside E
542.60
-2.1
6
12
184.6
7
Sophocarpine
246.35
1.7
0
2
23.55
0
3-Octanol
130.23
2.8
1
1
20.23
5
Scutebarbatine C
573.60
3.7
2
9
132.25
8
Gallocatechin-(4alpha->8)-epicatechin
594.50
2
11
13
240.99
3
(2S,3S,4S,5R,6R)-6-[[(2S,3R,4R,4aR,6aR,6bS,8aS,12aS,14aR,14bR)-8a-carboxy-2-hydroxy-4-(hydroxymethyl)-4,6a,6b,11,11,14b-hexamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-yl]oxy]-3,4,5-trihydroxyoxane-2-carboxylic acid
664.80
3.9
7
11
194.21
5
Sapinmusaponin H
779.00
5
6
12
176.76
8
[(2S,3R,4S,5S)-3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl] (4aR,5R,6aR,6aS,6bR,8aR,9R,10R,11S,12aR,14bS)-5,11-dihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-10-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
1077.20
-1.3
14
23
374.13
11
(E)-1-(3,4-Dimethoxyphenl)butadiene (DMPBD)
190.24
2.9
0
2
18.46
4
8-Tetradecene-11,13-diyn-2-one, (8Z)-
202.29
3.2
0
1
17.07
8
2-Butyl-5-propylresorcinol
208.30
4.4
2
2
40.46
5
1-(3-phenylpropanoyl)-2H-pyrrol-5-one
215.25
1.5
0
2
37.38
3
5H-1,3-Dioxolo[4,5-g][2]benzopyran-5-one, 7-propyl-
232.23
2.9
0
4
48.67
2
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