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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
2-Phenylpyridine
155.20
2.6
0
1
12.89
1
2-Acetyl-6-methylpyridine
135.16
1.3
0
2
29.96
1
(5S,8R,9S,10S,12R,13S,14S)-17-acetyl-12-hydroxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15-dodecahydrocyclopenta[a]phenanthren-3-one
330.50
3
1
3
54.37
1
(2S,3R,4S,5S,6R)-3,5-dimethoxy-6-(methoxymethyl)oxane-2,4-diol
222.24
-1.5
2
6
77.38
4
(1R,3aS,5aR,5bR,7aR,11aR,11bR,13aR,13bS)-5a,5b,8,8,11a-pentamethyl-9-oxo-1-prop-1-en-2-yl-2,3,4,5,6,7,7a,10,11,11b,12,13,13a,13b-tetradecahydro-1H-cyclopenta[a]chrysene-3a-carboxylic acid
454.70
7.9
1
3
54.37
2
3-Bromo-5-(hydroxymethyl)benzene-1,2-diol
219.03
1
3
3
60.69
1
4,5-Dicaffeoyl quinic acid
516.40
1.5
7
12
211.28
9
(2R,3R)-2-[(Z)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy-3-hydroxybutanedioic acid
312.23
0.1
5
9
161.59
7
(2S,3R)-trans-caftaric acid
312.23
0.1
5
9
161.59
7
(E)-3-[(2S,3S)-3-(3,4-dihydroxyphenyl)-2-(hydroxymethyl)-2,3-dihydro-1,4-benzodioxin-6-yl]prop-2-enal
328.30
1.7
3
6
96.22
4
1,4-Diacetylbenzene
162.18
1.3
0
2
34.14
2
galloyl(-2)[galloyl(-3)][galloyl(-4)][galloyl(-6)]b-Glc
788.60
1.5
13
22
377.42
13
2,3,4,6-Tetragalloyl-D-glucopyranose
788.60
1.5
13
22
377.42
13
(3s,5s)-3,5-Dihydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane
376.40
3.2
4
6
99.38
10
(3R,5S)-1,7-bis(4-hydroxy-3-methoxyphenyl)heptane-3,5-diol
376.40
3.2
4
6
99.38
10
(1E)-7-Hydroxy-1,7-bis(4-hydroxy-3-methoxyphenyl)-1-heptene-3,5-dione
386.40
1.9
3
7
113.29
9
(3R,5R)-1-(4-hydroxyphenyl)-7-phenylheptane-3,5-diol
300.40
3.6
3
3
60.69
8
N-Tetracosanoyltyramine
487.80
12.8
2
2
49.33
25
5,7-Dihydroxy-8-[5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxochromen-6-yl]-2-(4-hydroxyphenyl)chromen-4-one
552.50
5.4
5
10
170.8
4
5-Hydroxy-8-[5-hydroxy-7-methoxy-2-(4-methoxyphenyl)-4-oxochromen-8-yl]-2-(4-hydroxyphenyl)-7-methoxychromen-4-one
580.50
6
3
10
148.8
6
[2-[2-(3,4-Dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-methyloxan-3-yl] 3,4,5-trihydroxybenzoate
600.50
2
9
15
257.04
6
4-O-methylsappanol
318.32
1.4
4
6
99.38
3
4-O-Methylepisappanol
318.32
1.4
4
6
99.38
3
3-[(3,4-dihydroxyphenyl)methyl]-3,7-dihydroxy-2H-chromen-4-one
302.28
1.5
4
6
107.22
2
sappanone B
302.28
1.5
4
6
107.22
2
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