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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
Lanostan-3beta-ol
430.70
10.6
1
1
20.23
5
Brickellin
404.40
3.1
2
9
116.82
6
4',5-Dihydroxy-3',5',7,8-tetramethoxyflavone
374.30
2.9
2
8
107.59
5
5,3'-Dihydroxy-7,8,4'-trimethoxyflavanone
346.30
2.7
2
7
94.45
4
5,3'-Dihydroxy-6,7,4'-trimethoxyflavanone
346.30
2.7
2
7
94.45
4
5-Hydroxy-8-[2-hydroxy-5-(5-hydroxy-7-methoxy-4-oxochromen-2-yl)phenyl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
566.50
5.7
4
10
159.8
5
Puddumin A
448.40
0.4
5
10
155.14
5
2-(3,4-dihydroxyphenyl)-5-hydroxy-7-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
432.40
0.2
7
10
181.05
3
Chrysoeriol-7-O-beta-D-glucoside
462.40
0.8
6
11
179.28
5
5,7-Dihydroxy-2-(4-hydroxy-2-methoxyphenyl)-6-(5-methyl-2-prop-1-en-2-ylhex-4-enyl)-2,3-dihydrochromen-4-one
438.50
6.1
3
6
96.22
7
Gossypetin 3,8,3',4'-tetramethyl ether
374.30
3.1
2
8
107.59
5
2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-(((2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-((((2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyltetrahydro-2H-pyran-2-yl)oxy)methyl)tetrahydro-2H-pyran-2-yl)oxy)chroman-4-one
596.50
-1.4
9
15
245.29
6
Maximaisoflavone H
296.27
3
0
5
57.9
2
Pyriculol
248.27
1.6
3
4
77.76
5
Epipyriculol
248.27
1.6
3
4
77.76
5
Guggulsterone E&Z
312.40
3.9
0
2
34.14
0
3-Isomangostin
410.50
5.7
2
6
89.13
3
6-Deoxy-gamma-mangostin
380.40
6.3
3
5
90.9
4
3-Isomangostin Hydrate
428.50
4.3
3
7
109.36
4
1-Isomangostin Hydrate
428.50
3.8
3
7
109.36
4
Quercetagetin 3,3'-dimethyl ether
346.30
2.5
4
8
129.59
3
1-[2-Methoxy-2-(4-nitrophenyl)ethyl]sulfonyl-4-methylbenzene
335.40
2.7
0
5
94.89
5
(2S,3S,4S,5R,6S)-6-[2-(3,4-dimethoxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
490.40
1.4
5
12
185.35
6
(R)-Mucronulatol
302.32
2.9
2
5
68.15
3
[(2S)-2-[(3S,3aS,5aR,5bR,7aS,11aS,11bR,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-1,2,3,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-hexadecahydrocyclopenta[a]chrysen-3-yl]propyl] acetate
470.80
10.8
0
2
26.3
4
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