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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
1,3,6-Trihydroxy-8-methylanthraquinone
270.24
2.7
3
5
94.83
0
(1S,4aR,4bS,7R,10aR)-7-ethenyl-1,4a,7-trimethyl-3,4,4b,5,6,9,10,10a-octahydro-2H-phenanthrene-1-carboxylic acid
302.50
5.5
1
2
37.3
2
(3R,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-prop-1-en-2-yl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysene
410.70
11.4
0
0
0
1
(5R,8R,9S,10R,13R,14R,17S)-17-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
442.70
8.2
1
2
37.3
4
(3R)-2-(3,4-dihydroxyphenyl)-3,5,7-trihydroxy-2,3-dihydro-4H-chromen-4-one
304.25
1.5
5
7
127.45
1
Dolabradiene
272.50
7.3
0
0
0
1
Luxuriadiene
272.50
7.3
0
0
0
1
Doryafranin
311.40
3.6
0
4
30.93
3
(3aS,5aS,6S,9aR,9bR)-6-hydroxy-5a,9-dimethyl-3-methylidene-4,5,6,7,9a,9b-hexahydro-3aH-benzo[g][1]benzofuran-2-one
248.32
2
1
3
46.53
0
Luteolin 3'-glucoside
448.40
0.5
7
11
190.28
4
5,7-dihydroxy-2-[4-hydroxy-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]chromen-4-one
448.40
0.5
7
11
190.28
4
Tabernaemontanine
354.40
3.3
1
4
62.4
3
20-Epitabernemontanine
354.40
3.3
1
4
62.4
3
CID 12309364
406.50
1.1
3
6
104.06
3
CID 12309368
364.50
0.5
4
5
97.99
1
Dryobalanone
458.70
7.2
2
3
57.53
5
Durmillone
378.40
3.9
0
6
67.13
2
Dustanin
444.70
8.5
2
2
40.46
1
Eleostearic acid
278.40
6.4
1
2
37.3
13
Trametenolic acid
456.70
7.5
2
3
57.53
5
(R,R)-1-isopropyl-4-methyl-3-(prop-1-en-2-yl)-4-vinylcyclohexene
204.35
5.3
0
0
0
3
Wym3TH44BC
204.35
5.4
0
0
0
2
(2S,3R)-Astilbin; NSC 245342
434.40
0.7
6
10
166.14
3
(3S,4R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-3,4,10-trihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
488.70
5.7
4
5
97.99
1
(S)-3-Methyl-5-((1R,4aR,8aR)-5,5,8a-trimethyl-2-methylenedecahydronaphthalen-1-yl)pentanoic acid
306.50
6.2
1
2
37.3
5
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