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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
2,6-Dimethoxy-4-[(2-methyl-1,3-thiazol-5-yl)methyl]phenol
265.33
2.9
1
5
79.82
4
2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-2,5,7-trihydroxy-3H-chromen-4-one
428.60
7
3
5
86.99
13
2-[(8Z,11Z,14Z)-heptadeca-8,11,14-trienyl]-2,5,7-trihydroxy-6,8-dimethyl-3H-chromen-4-one
456.60
7.8
3
5
86.99
13
2-[(8Z,11Z)-heptadeca-8,11-dienyl]-2,5,7-trihydroxy-3H-chromen-4-one
430.60
7.7
3
5
86.99
14
2-[(8Z,11Z)-heptadeca-8,11-dienyl]-2,5,7-trihydroxy-6,8-dimethyl-3H-chromen-4-one
458.60
8.5
3
5
86.99
14
1-[(1R,9S,10R,12R,13R)-5-hydroxy-3-methoxy-9-methyl-13-propan-2-yl-8,11-dioxatetracyclo[7.5.0.02,7.010,12]tetradeca-2,4,6-trien-6-yl]-2-methylpropan-1-one
360.40
4.3
1
5
68.29
4
Ethyl gallate
198.17
1.3
3
5
86.99
3
(1R,4S,14R,15S,16R,20R,21R)-20-(3,4-dihydroxyphenyl)-14-[(10R,11R)-3,4,5,11,17,18,19-heptahydroxy-8,14-dioxo-9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaen-10-yl]-4,7,8,9,21,24-hexahydroxy-2,12,29-trioxo-3,13,19,27,30-pentaoxaheptacyclo[13.12.3.01,16.05,28.06,11.017,26.018,23]triaconta-5(28),6,8,10,17(26),18(23),24-heptaene-4-carboxylic acid
1086.80
0.1
16
29
490.71
3
[(E)-6-acetyloxy-1-[4-(2-benzamidoethyl)phenoxy]-7-hydroxy-3,7-dimethyloct-2-en-4-yl] hexadecanoate
708.00
11.6
2
7
111.16
29
[(E)-6-acetyloxy-1-[4-(2-benzamidoethyl)phenoxy]-7-hydroxy-3,7-dimethyloct-2-en-4-yl] tetradecanoate
679.90
10.5
2
7
111.16
27
[(E)-6-acetyloxy-1-[4-(2-benzamidoethyl)phenoxy]-7-hydroxy-3,7-dimethyloct-2-en-4-yl] octadecanoate
736.00
12.6
2
7
111.16
31
[(E)-1-[4-(2-benzamidoethyl)phenoxy]-6,7-dihydroxy-3,7-dimethyloct-2-en-4-yl] hexadecanoate
665.90
11
3
6
105.09
27
[(E)-8-[4-(2-benzamidoethyl)phenoxy]-2,5-dihydroxy-2,6-dimethyloct-6-en-3-yl] hexadecanoate
665.90
11
3
6
105.09
27
[(E)-8-[4-(2-benzamidoethyl)phenoxy]-3,5-dihydroxy-2,6-dimethyloct-6-en-2-yl] hexadecanoate
665.90
11
3
6
105.09
27
N-[2-[4-[(E)-3-(4-hydroxy-5,5-dimethyloxolan-2-yl)but-2-enoxy]phenyl]ethyl]benzamide
409.50
4.1
2
4
67.79
8
[(E)-1-[4-(2-benzamidoethyl)phenoxy]-6,7-dihydroxy-3,7-dimethyloct-2-en-4-yl] acetate
469.60
3.7
3
6
105.09
13
[(E)-5-[4-(2-benzamidoethyl)phenoxy]-1-(3,3-dimethyloxiran-2-yl)-3-methylpent-3-en-2-yl] hexadecanoate
647.90
12
1
5
77.16
26
3,3-Dibromoacrylic acid
229.85
1.6
1
2
37.3
1
2-(2,3-Dihydroxy-3-methylbutyl)-5-(6-hydroxy-1-benzofuran-2-yl)benzene-1,3-diol
344.40
2.5
5
6
114.29
4
6,7-Dimethoxy-2H-1,3-benzodioxole-4-carbaldehyde
210.18
1.1
0
5
53.99
3
(2R)-1-(2,4-dihydroxyphenyl)-3-(2,2-dimethylchromen-6-yl)-2-hydroxypropan-1-one
340.40
3.7
3
5
86.99
4
(2R)-1-(2,4-dihydroxyphenyl)-2-hydroxy-3-[4-hydroxy-3-(3-methylbut-2-enyl)phenyl]propan-1-one
342.40
4.4
4
5
97.99
6
Glycybridin C
410.50
6.3
4
5
97.99
8
8-(2,2-dimethyl-8H-pyrano[3,2-g]chromen-7-yl)-2,2-dimethylchromen-5-ol
388.50
4.9
1
4
47.92
1
6-Hydroxy-2-(5-hydroxy-2,2-dimethylchromen-6-yl)-1-benzofuran-3-carbaldehyde
336.30
3.7
2
5
79.9
2
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