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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
N-Acetyltyramine
179.22
1.1
2
2
49.33
3
2-Phenylbenzaldehyde
182.22
3.4
0
1
17.07
2
3-Phenylbenzaldehyde
182.22
3.4
0
1
17.07
2
(2Z,6E)-2,6-Nonadienal
138.21
2.2
0
1
17.07
5
[(1R)-1-[(3S,8R,9S,10R,11S,12S,13S,14S,17S)-3,11,12,14-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]ethyl] (E)-2-methylbut-2-enoate
448.60
2.6
4
6
107.22
4
14beta-Pregn-5-en-20-one, 3beta,8,11alpha,12beta,14-pentahydroxy-
380.50
-0.6
5
6
118.22
1
7-methoxy-8-[(2R,4R,5R)-2-(7-methoxy-2-oxochromen-8-yl)-5-prop-1-en-2-yl-1,3-dioxolan-4-yl]chromen-2-one
462.40
4.1
0
8
97.34
5
Genistein, O,O'-bis(acetyl)-
354.30
2.9
1
7
103.04
5
5,7-dimethoxy-6-[(1S,2S)-1,2,3-trihydroxypropyl]chromen-2-one
296.27
-0.3
3
7
109.36
5
7-Isopentenyloxy-gamma-fagarine
313.30
4.3
0
5
53.72
5
Morelloflavone
556.50
4.5
7
11
198.12
3
[8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-2-(3,4-dihydroxyphenyl)-5-hydroxy-4-oxochromen-7-yl] hydrogen sulfate
636.50
3.9
7
14
249.87
5
[8-[(2R,3S)-5,7-dihydroxy-2-(4-hydroxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl] hydrogen sulfate
620.50
4.2
6
13
229.64
5
(1R,2S,4S,5S)-9-methyl-3-oxa-9-azatricyclo[3.3.1.02,4]nonan-7-ol
155.19
-0.2
1
3
36
0
2-[(2S,3R,4aS,5R,6S,8aS)-5-(carboxymethyl)-2-ethenyl-3-hydroxy-2,5,8a-trimethyl-3,4,4a,6,7,8-hexahydrochromen-6-yl]-2-methylpropanoic acid
368.50
2.3
3
6
104.06
5
methyl (1S,15R,17S,18S)-17-ethyl-7-methoxy-14-oxo-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
382.50
2.7
1
4
71.63
4
Calystegine A5
159.18
-1.5
4
4
72.72
0
4,4'-Methylenediphenol
200.23
2.9
2
2
40.46
2
isaridine A
703.90
4.7
2
7
145.43
7
cyclo[Gly-Phe-Tyr-Pro-Trp-Pro]
747.80
3.2
6
7
193.04
6
(3R,3aS,6S,6aS,9aR,9bS)-9-(hydroxymethyl)-3,6-dimethyl-3,3a,4,5,6,6a,9a,9b-octahydroazuleno[4,5-b]furan-2,7-dione
264.32
1
1
4
63.6
1
(3R,3aR,6S,6aS,9aR,9bR)-3-hydroxy-9-(hydroxymethyl)-3,6-dimethyl-4,5,6,6a,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-2,7-dione
280.32
0.1
2
5
83.83
1
Impranine
427.70
5.5
1
3
40.54
2
(3R,5S,8S,9S,10R,13S,14S,17R)-3-hydroxy-17-[(1S)-1-(3-hydroxy-5-methylpyridin-2-yl)ethyl]-10,13-dimethyl-1,2,3,4,5,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-6-one
425.60
5.2
2
4
70.42
2
(4S,6Z)-4-hydroxy-3-methyl-6-(6-methylhept-5-en-2-ylidene)cyclohex-2-en-1-one
234.33
3
1
2
37.3
3
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