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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
24-Isopropyl-cholest-5-en-3beta-ol
428.70
9.6
1
1
20.23
6
Bonducellin
282.29
3
1
4
55.76
2
(3E)-3-[(4-hydroxyphenyl)methylidene]-7-methoxychromen-4-one
282.29
3
1
4
55.76
2
13(18)-Oleanen-3-one
424.70
8.5
0
1
17.07
0
5,7-Dihydroxy-4'-methoxy-4-phenylcoumarin
284.26
2.3
2
5
79.9
2
Degalloyl theasinensin F
594.50
2.2
11
13
240.99
3
methyl (4S,5Z,6S)-5-ethylidene-4-[2-oxo-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
566.50
-3.8
8
16
251.36
10
2-(3-ethyl-9,10-dimethoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-2-yl)ethanol
319.40
3
1
4
41.93
5
(20R)-Ginsenoside Rh2
622.90
5.6
6
8
139.84
7
(3S,5R,8R,9R,10R,13R,14R,17S)-4,4,8,10,14-pentamethyl-17-[(2E)-6-methylhepta-2,5-dien-2-yl]-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
426.70
9.9
1
1
20.23
3
1-[(2R)-6-hydroxy-2-(3-hydroxyprop-1-en-2-yl)-2,3-dihydro-1-benzofuran-5-yl]ethanone
234.25
1.9
2
4
66.76
3
CID 14081907
330.33
-1.9
5
8
128.84
4
8-Methyl-3-methylidene-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-ene-4,14-dione
276.28
1.3
0
5
65.13
0
Deoxymikanolide
276.28
1.3
0
5
65.13
0
(3,8-Dimethyl-4,14-dioxo-5,9,15-trioxatetracyclo[11.2.1.02,6.08,10]hexadec-13(16)-en-12-yl) acetate
336.30
0.9
0
7
91.43
2
Canthin-2,6-dione
236.22
0.3
1
2
54.34
0
1-Isopropyl-7-methyl-4-methylene-1,3,4,5,6,8-hexahydro-2H-naphthalen-4a-ol
220.35
3
1
1
20.23
1
(1S,4aR,8aR)-7-methyl-4-methylidene-1-propan-2-yl-1,2,3,5,6,8a-hexahydronaphthalen-4a-ol
220.35
3
1
1
20.23
1
1,4,9-Cadinatriene
202.33
3.8
0
0
0
1
3-[(3S)-3-hydroxybutyl]-2,4,4-trimethylcyclohex-2-en-1-one
210.31
2.1
1
2
37.3
3
6-Camphenone
150.22
1.5
0
1
17.07
0
1-(3-Hydroxypyridin-2-yl)ethanone
137.14
1.1
1
3
50.19
1
Phenylglyoxal
134.13
1.7
0
2
34.14
2
1-Methyl-2-propylbenzene
134.22
4.1
0
0
0
2
1-Methyl-3-propylbenzene
134.22
3.6
0
0
0
2
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