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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
(2Z,6Z,10Z,14Z,18Z,22Z,26E,30E,34E)-3,7,11,15,19,23,27,31,35,39-decamethyltetraconta-2,6,10,14,18,22,26,30,34,38-decaen-1-ol
699.20
17.8
1
1
20.23
28
5-Methyl-2-(propan-2-yl)phenyl pentanoate
234.33
4.4
0
2
26.3
6
2,6-Di-tert-butyl-P-benzoquinone
220.31
3.4
0
2
34.14
2
(S)-(S)-2-Methylbutyl 2-methylbutanoate
172.26
3.2
0
2
26.3
6
[(2S)-2-methylbutyl] (2R)-2-methylbutanoate
172.26
3.2
0
2
26.3
6
5,7-dihydroxy-2-(3,4,5-trihydroxyphenyl)-3,4-dihydro-2H-chromen-3-yl 3,4,5-trihydroxybenzoate
458.40
1.2
8
11
197.37
4
Isobaimuxinol
238.37
2.7
1
2
29.46
1
2'3'-Dehydro salannol
556.70
3.4
1
8
104.43
8
[(1R,4R,5R,7S,8R,9R,10R,11S,12R)-5,7-diacetyloxy-10-[(3R,5S)-5-acetyloxy-3-(furan-3-yl)-2-methylcyclopenten-1-yl]-9-(2-methoxy-2-oxoethyl)-4,8,10-trimethyl-2-oxatricyclo[6.3.1.04,12]dodecan-11-yl] (E)-2-methylbut-2-enoate
698.80
4.1
0
12
153.87
14
(-)-Ephedradine A
492.60
1.5
4
6
102.93
1
L-tyrosine betaine
223.27
2.2
1
3
60.36
3
Moellendorffiline
492.40
3.2
0
10
115.8
4
2,6,8,12-Tetrahydroxy-4-(1-hydroxypropan-2-yl)-3,7,11-trimethyl-13-oxatetracyclo[5.5.3.01,8.02,6]pentadec-3-en-14-one
382.40
-1.6
5
7
127.45
2
(1R,2R,5R,6R,10R,13S,15R)-5-[(2R,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadeca-8,18-dien-13-ol
426.60
6.1
1
3
38.69
4
4-Methyl-3-cyclohexenol
112.17
1
1
1
20.23
0
Chalepensin
254.28
4.3
0
3
43.35
2
(E)-1-(2,6-dihydroxyphenyl)-3-(4-hydroxyphenyl)prop-2-en-1-one
256.25
3.2
3
4
77.76
3
6-O-Galloylglucose
332.26
-2.3
7
10
184.98
8
1-Phenylisatin
223.23
2.1
0
2
37.38
1
1,2,3,4-Tetrahydro-9h-pyrrolo[3,4-b]quinolin-9-one
186.21
0.5
2
3
44.89
0
Roseamine
795.00
4.8
2
11
133.87
10
3,3',4',5,5',7-Hexahydroxyflavylium
303.24
6
6
132.68
1
Cyanidin
287.24
5
5
112.45
1
D-Galactonic acid
196.16
-3.4
6
7
138.45
5
2-[2-(3,4,5-Trimethoxyphenyl)ethyl]phenol
288.34
3.7
1
4
47.92
6
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