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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
3alpha,6alpha-Epoxy-4beta,5beta,27-trihydroxy-1-oxowitha-24-enolide
488.60
2.8
3
7
113.29
3
28-Homobrassinolide
494.70
5.2
4
6
107.22
6
(2R)-N-[(6S,7S,8R,11R,12S,15S,16R)-15-[(1S)-1-(dimethylamino)ethyl]-7-(hydroxymethyl)-7,12,16-trimethyl-6-tetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dienyl]-2-hydroxy-3-methylpentanamide
514.80
6
3
4
72.8
7
Methyl isobutyrate
102.13
1.2
0
2
26.3
2
(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,7,8,9,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-11-one
576.80
5.6
4
7
116.45
8
2,9-Dimethyldecan-5-one
184.32
3.7
0
1
17.07
7
6-[(2R,4R,5S,6S)-4,5-dihydroxy-6-methyloxan-2-yl]-5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
592.50
-0.2
8
14
228.97
6
Capsanthin 5,6-epoxide
600.90
10
2
4
70.06
11
Galphimidin
620.80
2.5
4
10
159.82
7
(2R,3R,4S,5S,6R)-2-[[(1S,3R,6S,8R,11S,12S,14S,15R,16S)-14-hydroxy-16-(hydroxymethyl)-15-[(2S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-7,7,12-trimethyl-6-pentacyclo[9.7.0.01,3.03,8.012,16]octadecanyl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
652.90
2.7
7
10
169.3
6
(3S,4S)-4-[(2S)-3-carboxy-1-oxo-1-[[(2R,3S,4S,5R,6S)-3,4,5-trihydroxy-6-(3,4,5-trihydroxybenzoyl)oxyoxan-2-yl]methoxy]propan-2-yl]-5,6,7-trihydroxy-1-oxo-3,4-dihydroisochromene-3-carboxylic acid
670.50
-2
11
20
344.8
11
7-O-(4-beta-D-glucopyranosyloxy-3-methoxybenzoyl)secologanolic acid
688.60
-1.7
9
18
280.82
14
(2S,3R,4R,5R,6S)-2-[(2R,3R,4S,5R,6R)-3,5-dihydroxy-2-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19S)-16-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-19-yl]oxy-6-methyloxan-4-yl]oxy-6-methyloxane-3,4,5-triol
724.90
3
6
12
176.76
4
Galphin C
732.80
3.6
1
14
190.56
11
Methyl lactate
104.10
-0.1
1
3
46.53
2
[(3S,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] hexacosanoate
793.40
22.7
0
2
26.3
32
[(2R,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5S,6R)-2-[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxy-3,4,5-trihydroxyoxan-2-yl]methyl (Z)-3-(4-hydroxyphenyl)prop-2-enoate
934.80
-1.1
14
24
395.11
14
(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13S,16S,18S)-16-[(2R,3R,4R,5R,6R)-5-[(2S,3R,4S,5R,6R)-3-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-10-one
1195.30
-3.1
14
27
411.05
13
Dtsufarfcgsjau-ieafzcgxsa-
1487.40
-0.4
14
36
525.48
33
1,6-Octadien-3-ol
126.20
1.9
1
1
20.23
4
(S)-5-((R)-1-Hydroxyethyl)dihydrofuran-2(3H)-one
130.14
0
1
3
46.53
1
(2S,5S)-5-Hydroxypiperidine-2-carboxylic acid
145.16
-3
3
4
69.56
1
Methyl (E)-2-octenoate
156.22
3
0
2
26.3
6
methyl (5S,7S)-5,7-dihydroxyoctanoate
190.24
0.3
2
4
66.76
7
6-methyl-9H-carbazol-3-ol
197.23
3.4
2
1
36.02
0
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