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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)-5,7,2'-trihydroxyflavanone
272.25
2.4
3
5
86.99
1
(S)-5,7-Dihydroxy-2-(2-hydroxyphenyl)-8-methoxychroman-4-one
302.28
2.4
3
6
96.22
2
(2s)-5,2',5'-Trihydroxy-7,8-dimethoxyflavanone
332.30
2.3
3
7
105.45
3
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[2-[(2S)-5-hydroxy-7,8-dimethoxy-4-oxo-2,3-dihydrochromen-2-yl]-3-methoxyphenoxy]oxane-2-carboxylic acid
522.50
1.1
5
13
190.67
7
(2S,3S,4S,5R,6S)-3,4,5-trihydroxy-6-[5-hydroxy-8-methoxy-2-(2-methoxyphenyl)-4-oxochromen-7-yl]oxyoxane-2-carboxylic acid
490.40
1.4
5
12
185.35
6
5,2'-Dihydroxy-6,7,6'-trimethoxyflavanone
346.30
2.7
2
7
94.45
4
5,7-Dihydroxy-8,2'-dimethoxyflavone
314.29
3
2
6
89.13
3
Rivularin (flavone)
344.30
2.9
2
7
98.36
4
5,7-Dihydroxy-4-(4-hydroxyphenyl)-2H-1-benzopyran-2-one
270.24
2
3
5
90.9
1
Spirostane-3,6-dione
428.60
4.4
0
4
52.6
0
2''-Galloylastragalin
600.50
1.9
9
15
257.04
7
Quercetin 3-(2-galloylglucoside)
616.50
1.5
10
16
277.27
7
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2R,3R)-2,3,6-trihydroxy-6-methyl-5-methylideneheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
492.60
0.9
6
7
138.45
5
Taraxasterol acetate
468.80
9.7
0
2
26.3
2
5,7,2'-Trihydroxy-6'-methoxyflavone
300.26
1.7
3
6
100.13
2
Brassicasterol acetate
440.70
8.6
0
2
26.3
6
Acetic acid (22E)-ergosta-5,22-dien-3beta-yl ester
440.70
8.6
0
2
26.3
6
Flacourtin
406.40
0.8
5
9
145.91
7
I(2)-D-Glucopyranoside, 3-hydroxy-4-(hydroxymethyl)phenyl, 6-benzoate
406.40
0.8
5
9
145.91
7
(E)-alpha-bergamotene
204.35
4.8
0
0
0
3
(1R,5R,6R)-2,6-Dimethyl-6-(4-methylpent-3-enyl)bicyclo[3.1.1]hept-2-ene
204.35
4.8
0
0
0
3
25-Methyl-24-methylenecholesterol
412.70
9.2
1
1
20.23
5
Withaphysalin E
482.60
1.9
2
7
110.13
1
Decaffeoyl-acteoside
462.40
-1.9
8
12
198.76
7
Z-harpagoside
494.50
-0.6
6
11
175.37
7
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