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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
(25r)-26-O-beta-d-glucopyranosyl-5alpha-furost-20(22)-en-12-one-3beta,26-diol
592.80
2.5
5
9
145.91
7
Pentamethoxyflavanone
374.40
2.4
0
7
72.45
6
Quercetin 3,7-di-O-sulfate
462.40
1
5
13
234.86
5
7-(3,4-Dihydroxyphenyl)-1-(4-hydroxy-3-methoxyphenyl)-4-hepten-3-one
342.40
3.4
3
5
86.99
8
2-(1-Hydroxyethyl)-2-acetyl-naphtho[2,3-b]furan-4,9-dione
286.28
1
1
5
80.67
2
14,20-Dimethyl heptacosanol
424.80
13.8
1
1
20.23
25
6-Hydroxy-8-(prop-1-en-2-yl)-8,9-dihydro-2h-furo-[2,3-h]chromen-2-one
244.24
2.9
1
4
59.67
1
7,2'-Dihydroxy-4',5'-methylenedioxyisoflavan-4-ol
302.28
1.7
3
6
88.38
1
Tetramethoxy-flavanon
344.40
2.4
0
6
63.22
5
2-(3,4-Dimethoxyphenyl)furo[2,3-h]chromen-4-one
322.30
3.5
0
5
61.81
3
Ethyl-1-(ethylthio)ethyldisulfid
298.60
5.8
0
4
101.2
11
(5R,6S,8R,9R,10R,12R,13R,14R,17S)-6,12-dihydroxy-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
474.70
5.5
3
4
77.76
4
(4aR,5S,9aR)-9a-[(4aR,5S,9aR)-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-9a-yl]-3,4a,5-trimethyl-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
462.60
5.6
0
4
52.6
1
(4aR,5S,9aS)-9a-[(4aR,5S,9aR)-3,4a,5-trimethyl-2-oxo-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-9a-yl]-3,4a,5-trimethyl-5,6,7,8-tetrahydro-4H-benzo[f][1]benzofuran-2-one
462.60
5.6
0
4
52.6
1
(4S,4aR,5S,8aR)-4-ethoxy-3,4a,5-trimethyl-5,6,7,8,8a,9-hexahydro-4H-benzo[f][1]benzofuran
262.40
4.6
0
2
22.37
2
3,13-Dihydroxygibberellin A15
362.40
0.5
3
6
104.06
1
Capsimine
415.70
5.2
3
3
52.49
2
Hexenone
98.14
1.2
0
1
17.07
2
1-(3-indolyl)-2R,3-dihydroxypropan-1-one
205.21
0.8
3
3
73.32
3
methyl (2R)-3-(3,4-dihydroxyphenyl)-2-[(E)-3-[3-[(Z)-2-(3,4-dihydroxyphenyl)-1-methoxycarbonyl-vinyloxy]-4-hydroxy-phenyl]prop-2-enoyl]oxy-propanoate
566.50
4.4
5
12
189.28
13
Isocapsicastrine
577.80
3.6
6
8
131.64
5
Pyramidaglain B
694.80
4.9
3
9
141.65
14
5-[3-[2-(Dimethylamino)ethyl]indol-1-yl]-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-6-ol
388.50
3.6
2
3
47.43
4
(2R)-2-amino-3-[(R)-benzylsulfinyl]propanoic acid
227.28
-2.7
2
5
99.6
5
11,20-Dihydroxysugiol
332.40
3.9
3
4
77.76
2
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