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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,3S,4aS,8R,8aS)-4,4,8a-trimethyl-7-methylidene-8-[(2Z)-3-methylpenta-2,4-dienyl]-2,3,4a,5,6,8-hexahydro-1H-naphthalene-2,3-diol
304.50
4.7
2
2
40.46
3
Mugineic acid
320.30
-6.7
6
10
167.63
10
methyl (1S,11S,17R,18E)-18-ethylidene-8,14-diazapentacyclo[9.5.2.01,9.02,7.014,17]octadeca-2,4,6,9-tetraene-10-carboxylate
322.40
2.3
1
4
41.57
2
(+)-O-Methylarmepavine
327.40
3.7
0
4
30.93
5
Acronyculatin B
334.40
3.7
2
5
75.99
5
4,6,9,11-tetrahydroxy-8,10-dimethyl-6H-chromeno[3,4-b]chromen-12-one
342.30
2.4
4
7
120.36
0
2-Cyclopentene-1-undecanoic acid
252.39
5.9
1
2
37.3
11
(2S,3R,4S,5S,6R)-2-[(3S,6S)-6,7-dihydroxy-3,7-dimethyloct-1-en-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
350.40
-1.2
6
8
139.84
8
CID 11068459
362.50
5.4
1
4
63.6
6
Chrysanthemol
154.25
2.5
1
1
20.23
2
(3S,3aS,6S,6aR)-3,6-bis(1,3-benzodioxol-5-yl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]furan-3a-ol
370.40
1.6
1
7
75.61
2
Linarionoside A
374.50
0.2
5
7
119.61
6
1,2-Diphenylethane-1,2-diamine
212.29
1.4
2
2
52.04
3
cis-Bis(methylthio)silvatin
408.60
3.9
0
5
100.45
7
(3R,3aR,5aR,5bR,7aS,11aS,13R,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-1,2,3,4,5,5b,6,7,7a,9,10,11,13,13b-tetradecahydrocyclopenta[a]chrysen-13-ol
426.70
9.4
1
1
20.23
1
Sterol
248.40
5.1
1
1
20.23
0
Dihydrogenistin
434.40
0.8
6
10
166.14
4
5-Hydroxy-3-(1-hydroxy-3-methylbut-2-enyl)-2-(4-methoxyphenyl)-8,8-dimethylpyrano[2,3-h]chromen-4-one
434.50
5.1
2
6
89.13
4
(3S,8S,9S,10R,13S,14S,16S,17R)-17-[(2S)-2,6-dihydroxy-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthrene-3,16-diol
434.70
4.6
4
4
80.92
5
Meliastatin 5
456.70
6.4
2
3
57.53
5
(1R,4S,5S,8S,9R,10S,13S,14R,16R,17S,22R)-8-hydroxy-4,9,10,14,17,20,20-heptamethyl-24-oxahexacyclo[14.6.2.01,14.04,13.05,10.017,22]tetracosan-23-one
456.70
7.9
1
3
46.53
0
(2R,3R,4S,5S,6R)-2-[(3R,5R)-1-(3,4-dihydroxyphenyl)-5-hydroxy-7-(4-hydroxyphenyl)heptan-3-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
494.50
1.3
8
10
180.3
11
Glc(b1-6)Glc(b)-O-coumaroyl(3-OH)
504.40
-2.8
9
14
236.06
8
Glc(b1-2)[coumaroyl(3-OH)(-6)]a-Glc
504.40
-2.8
9
14
236.06
8
5-hydroxy-2-(hydroxymethyl)-3-[2-hydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-7-methoxy-6-methylchromen-4-one
506.50
0.3
7
12
199.51
6
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