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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
3,9,16,17-Tetrahydroxy-12,12-dimethyl-6-methylidenepentacyclo[7.6.1.15,8.01,11.02,8]heptadecane-7,10-dione
362.40
-0.2
4
6
115.06
0
(E)-1-[3-[(1R,5R,6S)-6-[2,4-dihydroxy-3-(3-methylbut-2-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
678.70
7.8
8
10
195.98
9
(2E)-1-[3-[(1S,5S,6R)-6-[2,4-Dihydroxy-3-(3-methyl-2-buten-1-yl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methyl-2-cyclohexen-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)-2-propen-1-one
678.70
7.8
8
10
195.98
9
4-Methylimidazole
82.10
0.2
1
1
28.68
0
(1S,10R,12S,15S,16R,17S)-15-ethenyl-13-methyl-19-oxa-3,13-diazahexacyclo[14.3.1.02,10.04,9.010,15.012,17]icosa-2,4,6,8-tetraene
306.40
2.5
0
3
24.83
1
(3S,8R)-heptadeca-1,9-dien-4,6-diyne-3,8-diol
260.40
4.4
2
2
40.46
9
CID 131954670
224.25
0.5
2
4
66.76
2
(2Z,4E)-5-((S)-1-hydroxy-2,6,6-trimethyl-4-oxocyclohex-2-enyl)-3-methylpenta-2,4-dienoic acid
264.32
1.6
2
4
74.6
3
6-Benzoyl-12-methyl-13-oxo-9(12)-9(12)-dihomo-18-podocarpanol
424.60
5.3
1
4
63.6
4
2-Butyl-4-methylfuran
138.21
3.1
0
1
13.14
3
2-Cyclohexen-1-OL
98.14
1
1
1
20.23
0
2-Isopropyl-1,3-dioxolane
116.16
1.2
0
2
18.46
1
Ergostan-3,24-diol
418.70
8
2
2
40.46
5
(1R,2R)-2-(2,6-dimethoxy-4-prop-1-enylphenoxy)-1-(3,4,5-trimethoxyphenyl)propan-1-ol
418.50
4
1
7
75.61
10
delta-Hexalactone
114.14
1
0
2
26.3
0
Cyclohexyl methyl ketone
126.20
2
0
1
17.07
1
Annomutacin
624.90
9.5
4
7
116.45
28
[(1S,2S,4R,5R,7S,9S,10R,11S,12S,13S,14R,15R,16S,17S,22S,23S,24R,25R)-10,14-diacetyloxy-4,5,22,25-tetrahydroxy-11,15,17,22,23-pentamethyl-3,21-dioxo-8,20-dioxaheptacyclo[13.10.0.02,12.05,11.07,9.016,24.019,23]pentacos-18-en-13-yl] acetate
676.70
0
4
14
215.72
6
Deutzicoside A
736.90
3.8
7
12
195.6
5
methyl (2E)-3-(4-ethoxyphenyl)prop-2-enoate
206.24
3
0
3
35.53
5
Zingiberenol
222.37
4.3
1
1
20.23
4
(S)-(+)-5-Methyl-1-heptanol
130.23
2.7
1
1
20.23
5
(R)-5-methylheptan-1-ol
130.23
2.7
1
1
20.23
5
Thanite
253.36
4
0
4
75.39
4
(7aR,11aS)-3-(3,4-dihydroxyphenyl)-6-methoxy-8,8,11a-trimethyl-7a,9,10,11-tetrahydro-7H-pyrano[2,3-c]xanthen-1-one
436.50
5.2
2
6
89.13
2
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