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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
(7,7-Dimethyl-2-methylidene-6-tricyclo[6.2.1.01,5]undecanyl)methanol
220.35
3.8
1
1
20.23
1
5-Methylheptane-2,4-dione
142.20
1.2
0
2
34.14
4
7-Butan-2-yl-2,2-dimethylpyrano[4,3-b]pyran-5-one
234.29
2.9
0
3
39.44
2
2,2-Dimethyl-7-(2-methylpropyl)pyrano[4,3-b]pyran-5-one
234.29
3
0
3
39.44
2
N-p-Coumaroyltyrosine
327.30
1.4
4
5
106.86
6
4,5-Epoxydec-2(trans)-enal
168.23
2
0
2
29.6
6
(1S,4S,10S,13R,15R)-4-Hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadec-2-en-11-one
261.36
0.7
1
3
40.54
0
1,8-Menthadien-2-ol
152.23
2.7
1
1
20.23
1
5-Methylhexanal
114.19
1.9
0
1
17.07
4
Shengmanol xyloside
620.80
3.7
5
9
141.37
3
Epidihydrofawcettidine
247.38
2.9
1
2
23.47
0
7,4'-Dihydroxyflavan
242.27
3.1
2
3
49.69
1
(10E)-octadeca-10,12-dienoic acid
280.40
7.1
1
2
37.3
14
Jatrophane 5
779.80
3.7
2
15
211.15
14
(1,5,8a-trimethyl-2,8-dioxo-3a,4,5,5a,9,9a-hexahydro-1H-azuleno[6,5-b]furan-9-yl) 2-methylprop-2-enoate
332.40
2.1
0
5
69.67
3
(1S,2R,3R,6R,8R,11S,12R,13R,14S,15S,16S,17S)-2,3,12,15,16-pentahydroxy-9,13,17-trimethyl-11-[(2R,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-en-4-one
574.60
-4.4
9
14
236.06
3
1-Propanone, 1-(2,4-dihydroxy-3-((2-hydroxyphenyl)methyl)-6-methoxy-5-methylphenyl)-3-phenyl-
392.40
5.2
3
5
86.99
7
Arcapillin
360.30
2.6
3
8
118.59
4
Benzo(a)-1,3-benzodioxolo(4,5-g)quinolizinium, 8,9-dimethoxy-6-methyl-
348.40
5.4
0
4
41.02
2
Daphneticin
386.40
2.1
2
8
107.59
4
methyl 4-[(E)-6-methyl-4-oxohept-2-en-2-yl]benzoate
260.33
3.8
0
3
43.37
6
(Z)-2-[(4-hydroxyphenyl)methyl]but-2-enedioic acid
222.19
1.1
3
5
94.83
4
methyl (Z)-2-hydroxy-3-(4-hydroxyphenyl)prop-2-enoate
194.18
1.7
2
4
66.76
3
Spinacoside D
764.90
5.8
6
14
226.58
10
Esulatin D
636.70
2.8
0
13
174.87
12
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