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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
stereoisomer of 3-[2-Hydroxy-7-[tetrahydro-5-(1,4,5-trihydroxy-8-heneicosen-1-yl)-2-furanyl]heptyl]-5-methyl-2(5H)-furanone
622.90
9.1
4
7
116.45
27
Ergonine
547.60
1.9
3
6
118.21
4
Proglobeflowery acid
236.26
3
2
4
66.76
4
N-Desmethyldauricine
610.70
6.2
2
8
81.65
10
3-[(3,4-Dihydroxyphenyl)methylidene]-7-hydroxy-2-benzofuran-1-one
270.24
3
3
5
86.99
1
6,8-Dihydroxy-1,1-bis(3-methylbut-2-enyl)-3,4-dihydroxanthene-2,9-dione
382.40
4.9
2
5
87.74
4
Ccg-4986
374.80
4.9
0
7
126.46
4
4-[(1R,4aS,5R,8aS)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]butan-2-one
278.40
3.4
1
2
37.3
4
2-(1H-indol-3-yl)-2-oxoacetaldehyde
173.17
1.8
1
2
49.93
2
6-[(2E)-3,7-dimethylocta-2,6-dienyl]-5,7-dihydroxy-3-(3-hydroxy-4-methoxyphenyl)chromen-4-one
436.50
6.4
3
6
100.13
7
[(1R,2R,5S,6S,7S,8S,9S,10R,13S,14S)-2,7-dihydroxy-9,13-dimethyl-8-(2-methylpropanoyloxy)-5-propan-2-yl-6-tetracyclo[7.5.0.02,6.010,14]tetradecanyl]methyl benzoate
512.70
6.2
2
6
93.06
8
[(1R,2R,5S,6S,7S,8S,9S,10R,13S,14S)-2,8-dihydroxy-9,13-dimethyl-7-(2-methylpropanoyloxy)-5-propan-2-yl-6-tetracyclo[7.5.0.02,6.010,14]tetradecanyl]methyl benzoate
512.70
6.2
2
6
93.06
8
Tilarginine
188.23
-4.1
4
4
113.73
6
9-Oxo-10(E),12(Z)-octadecadienoic acid
294.40
5.2
1
3
54.37
14
3,5-Dihydroxy-6,7-dimethoxyflavone
314.29
3.2
2
6
89.13
3
(1R,2S,5S,9R,12S,13R,16S)-16-(dimethylamino)-6,13-dimethyl-7-azapentacyclo[10.8.0.02,9.05,9.013,18]icos-18-en-8-one
356.50
3.8
1
2
32.34
1
4-Methyl (4R,4aS,6aS,7R,11aS,11bS)-2,3,4,4a,5,6,6a,7,11,11a-decahydro-4,7-dimethylphenanthro[3,2-b]furan-4,11b(1H)-dicarboxylate
360.40
3.9
1
5
76.74
3
1,3,5,6-tetrahydroxy-2,4-bis[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]xanthen-9-one
532.70
9.6
4
6
111.13
10
1,3,5,6-tetrahydroxy-2-[(2R)-5-methyl-2-prop-1-en-2-ylhex-4-enyl]xanthen-9-one
396.40
5.8
4
6
111.13
5
Bullatalicin
638.90
8.2
4
8
125.68
25
1-Acetyl-4-methyl-1,3-cyclohexadiene
136.19
1.5
0
1
17.07
1
methyl (1R,9R,16S,18R,21S)-6-[(15S,17R,19S)-15-ethyl-1,11-diazapentacyclo[9.6.2.02,7.08,18.015,19]nonadeca-2,4,6,8(18)-tetraen-17-yl]-2,12-diazahexacyclo[14.2.2.19,12.01,9.03,8.016,21]henicosa-3(8),4,6-triene-18-carboxylate
616.80
6.2
1
5
49.74
4
(5S)-3-methoxy-2-methyl-5-(5-phenylpentyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
339.50
5.8
1
3
42.09
7
(5R)-2-(hydroxymethyl)-3-methoxy-5-(5-phenylpentyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
355.50
4.6
2
4
62.32
8
(5S)-3-methoxy-2-methyl-5-(5-phenylpentyl)-1,5,6,7-tetrahydroquinoline-4,8-dione
353.50
4.9
1
4
59.16
7
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