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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
3-O-Acetylpinobanksin
314.29
2.8
2
6
93.06
3
(R)-2,4,6-Trimethyl-3-oxo-2,3-Dihydro-1H-indene-5-acetic acid
232.27
2.4
1
3
54.37
2
3-[(3S,5S,8R,9S,10R,13R,14S,17R)-14-hydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
552.70
0.4
6
10
166.14
5
2,4-Dichlorophenoxyacetic acid
221.03
2.8
1
3
46.53
3
1,7-Dihydroxy-3,5-dimethoxy-9H-xanthen-9-one
288.25
2.7
2
6
89.13
2
Ethyl 2-acetamido-2-(dimethylamino)acetate
188.22
0
1
4
58.64
5
5-[6-hydroxy-5-[(E)-4-hydroxy-3-methylbut-2-enyl]-1-benzofuran-2-yl]benzene-1,3-diol
326.30
3.6
4
5
94.06
4
Grantionin
328.30
2.7
1
6
78.13
4
Grantioidinin
418.40
3.4
1
9
105.82
7
Peonidin 3-sophoroside 5-glucoside
787.70
13
20
338.9
11
kaempferol-3-O-(2-O-acetyl-alpha-L-rhamnopyranoside)
474.40
1.8
5
11
176.12
5
3''-O-Acetylafzelin
474.40
1.8
5
11
176.12
5
4''-O-Acetylafzelin
474.40
1.8
5
11
176.12
5
7-Keto-11c-octadecenoic acid
296.40
4.9
1
3
54.37
15
2,4,6,7,8-Pentamethoxyphenanthren-3-ol
344.40
3.9
1
6
66.38
5
3,4,7,8-Tetramethoxyphenanthrene-2,6-diol
330.30
3.6
2
6
77.38
4
[(2R,3R,4R,5R,6S)-3,4-diacetyloxy-6-[4-[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]-2,3-dihydroxyphenoxy]-5-hydroxyoxan-2-yl]methyl acetate
576.50
1.8
5
14
215.58
12
6-beta-D-Glucopyranosyldiosmetin
462.40
0.2
7
11
190.28
4
[2-(3,4-Dihydroxyphenyl)-5-hydroxy-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
360.30
2.4
3
8
122.52
4
(E)-Isosyringin
372.40
-0.3
5
9
138.07
7
(3S)-3-[3-(dimethylamino)propyl]-3H-2-benzofuran-1-one
219.28
1.8
0
3
29.54
4
3-(2,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
482.50
5.9
4
6
99.38
3
6-(2,7-Dihydroxy-4-methoxy-9,10-dihydrophenanthren-1-yl)-1-[(4-hydroxyphenyl)methyl]-4-methoxy-9,10-dihydrophenanthrene-2,7-diol
588.60
7.5
5
7
119.61
5
1-[2,7-Dihydroxy-8-[(4-hydroxyphenyl)methyl]-5-methoxy-9,10-dihydrophenanthren-3-yl]-4-methoxyphenanthrene-2,7-diol
586.60
8.1
5
7
119.61
5
1,8-Bis[(4-hydroxyphenyl)methyl]-4-methoxyphenanthrene-2,7-diol
452.50
6.8
4
5
90.15
5
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