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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,3S,5R)-2-[(1S)-1-[(3S,5S,8R,9S,10S,13S,14S,16R,17R)-3-amino-16-hydroxy-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpiperidin-3-ol
432.70
4.8
4
4
78.51
2
7-Amino-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-18-ol
414.70
5.7
2
3
49.49
0
(1S,2R,5S,7S,10S,11S,14S,15R,16S,17S,18S,20R,23S)-7-amino-10,14,16,20-tetramethyl-22-azahexacyclo[12.10.0.02,11.05,10.015,23.017,22]tetracosan-18-ol
414.70
5.7
2
3
49.49
0
3-(2,4-Dimethoxyphenyl)-5,7-dimethoxy-6-(3-methylbut-2-enyl)chromen-2-one
410.50
5.4
0
6
67.13
7
Hederagenin diacetate
556.80
7.4
1
6
89.9
6
Ojvcxvgfrrzmrp-uhfffaoysa-
266.29
2.2
1
2
47.02
1
(2R,4aR,6aR,7S,9R,10S,10aS,10bR)-2-(furan-3-yl)-4a,7,9,10-tetrahydroxy-10b-methyl-1,2,5,6,6a,7,8,9,10,10a-decahydrobenzo[f]isochromen-4-one
352.40
0
4
7
120.36
1
Persicaxanthin
384.60
5.7
2
3
52.99
7
2-[(2E,4E,6E,8E,10E,12E,14E)-15-(4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran
568.90
11.3
0
2
18.46
8
methyl (4R)-4-[(Z)-6-methyl-4-oxohept-2-en-2-yl]cyclohexene-1-carboxylate
264.36
3.6
0
3
43.37
6
5-ethenyl-3-methoxy-6-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4,4a,5,6-tetrahydro-3H-pyrano[3,4-c]pyran-1-one
388.40
-0.9
4
10
144.14
5
Vogeloside
388.40
-0.9
4
10
144.14
5
Glaucocalyxin B
374.50
2.3
1
5
80.67
2
Dihydrocornin
390.40
-1.4
5
10
155.14
5
(E)-5-[(1S,2R,4aR,8aR)-1,2,4a-trimethyl-5-methylidene-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl]-3-methylpent-2-enoic acid
304.50
6.4
1
2
37.3
4
(E)-5-(5-hydroxy-1,2,4a,5-tetramethyl-3,4,6,7,8,8a-hexahydro-2H-naphthalen-1-yl)-3-methylpent-2-enoic acid
322.50
5.3
2
3
57.53
4
(R)-2-Methyl-4-(1H-indole-3-yl)-1-butanol
203.28
2.9
2
1
36.02
4
[8,12-Diacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
652.70
3.6
1
12
160.96
13
[4,8,12-Triacetyloxy-6-(acetyloxymethyl)-7-benzoyloxy-2-hydroxy-2,10,10-trimethyl-11-oxatricyclo[7.2.1.01,6]dodecan-5-yl] benzoate
710.70
3.2
1
14
187.26
15
Lophanthoidin B
448.50
2.1
2
8
127.2
6
Lophanthoidin E
406.50
1.5
3
7
121.13
4
Lophanthoidin F
434.50
2.4
2
7
110.13
6
Ganoderenic Acid A
514.60
2.3
3
7
128.97
5
Quinovic acid 3-O-beta-D-glucoside
648.80
4.3
6
10
173.98
5
(1S,2R,4aS,6aR,6bR,8aR,10S,12aR,12bR,14bS)-1,2,6b,9,9,12a-hexamethyl-10-((2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)-4a-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydro-2H-pyran-2-yloxy)carbonyl)-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-6a-carboxylic acid
811.00
2.5
9
15
253.13
8
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