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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
Meconic acid
200.10
0
3
7
125.04
2
1-hydroxy-2-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyanthracene-9,10-dione
534.50
-1.2
7
13
212.67
5
(9R)-9'-hydroxylariciresinol tetraacetate
544.50
3.2
0
11
132.89
14
Schizotenuin F
552.50
4
6
12
200.28
12
[(3S,4R,5S)-5-[[9-(1,3-benzodioxol-5-yl)-6,7-dimethoxy-1-oxo-3H-benzo[f]isobenzofuran-4-yl]oxy]-3,4-dihydroxy-tetrahydrofuran-3-yl]methyl acetate
554.50
2.2
2
12
148.44
8
(2S,3R)-3-[(2S,3R)-5,7-dihydroxy-2-(4-methoxyphenyl)-4-oxo-2,3-dihydrochromen-3-yl]-5,7-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
556.50
5
5
10
162.98
4
Woorenoside I
564.60
0.6
5
12
165.76
11
(3S,6S)-2-(hydroxymethyl)-6-(4-hydroxyphenoxy)oxane-3,4,5-triol
272.25
-0.7
5
7
119.61
3
10b-[3-(2,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-8-yl]-1,3,8-trihydroxy-5aH-[1]benzofuro[2,3-b]chromen-11-one
570.50
4.3
7
12
207.35
2
Dipiperamide A
570.70
4.8
0
6
77.54
6
(2R)-3-[[(2S)-3-(3-chloro-4-methoxyphenyl)-2-[[(E,5S,6S,7R,8S)-5,7,8-trihydroxy-6-methyl-8-phenyloct-2-enoyl]amino]propanoyl]amino]-2-methylpropanoic acid
577.10
2.7
6
8
165.42
15
rollidecin C
578.90
9.8
2
6
85.22
23
Actephilol A
580.60
7.2
3
8
114.68
2
Epi-actephilol A
580.60
7.2
3
8
114.68
2
(2R,3R,4S,5S,6R)-2-[[(1R,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
582.60
0.4
7
13
196.99
10
Epicalyxin K
582.60
5.8
4
8
125.68
7
cylindrocyclophane A
584.80
10.2
6
6
121.38
6
[(1S,2R,5S,6S,8R,10R,11S,12R,14R,15R,16S,19S,21R)-21-acetyloxy-6-(furan-3-yl)-12,19-dihydroxy-5,11,15-trimethyl-3-oxo-9,17-dioxahexacyclo[13.3.3.01,14.02,11.05,10.08,10]henicosan-16-yl] 2-methylpropanoate
586.70
2.3
2
10
145.03
6
2,3,5-Tribromo-6-(3,5-dibromo-2-hydroxyphenoxy)phenol
596.70
6.2
2
3
49.69
2
(2S)-4-[(13R)-13-hydroxy-13-[(2R,5S)-5-[(2S,5R)-5-[(1R)-1-hydroxyundecyl]oxolan-2-yl]oxolan-2-yl]tridecyl]-2-methyl-2H-furan-5-one
606.90
11.2
2
6
85.22
25
ligurobustoside E
608.70
2
6
12
184.6
13
Garcilivin A
620.60
7.3
6
10
181.8
3
Insularine
620.70
6.2
0
8
61.86
3
Quercetin 3,7,3',4'-tetra-O-sulfate
622.50
-0.2
5
19
338.36
9
Ligurobustoside O
622.70
0.6
6
13
201.67
14
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