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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
Cerbinal
204.18
1.3
0
4
56.51
3
Campestanyl ferulate
578.90
11.9
1
4
55.76
10
Sclerodione
312.30
4.3
2
5
83.83
0
(2S,3R,4S,5S,6R)-2-[(2S,3R,4S,5R,6R)-2-[(2R,3R,4R,5R,6R)-4,5-dihydroxy-2-(hydroxymethyl)-6-[(1R,2S,4S,5'R,6R,7S,8R,9S,12S,13R,16S,18S,19R)-19-hydroxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-5-hydroxy-6-(hydroxymethyl)-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-4-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
1081.20
-1.8
14
24
375.52
12
N,N'-Dicyclohexyloxamide
252.35
2.9
2
2
58.2
2
Methyl 2-(2,5-dihydroxyphenyl)acetate
182.17
1
2
4
66.76
3
Estradiol Valerate
356.50
6
1
3
46.53
5
(2R,3S,4S,5R,6S)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-[4-(hydroxymethyl)phenoxy]oxane-3,4,5-triol
418.40
-2.9
7
11
178.53
7
Kaempferol 3-b-laminaribioside
610.50
-0.9
10
16
269.43
7
6-Methyl-1H-indole
131.17
3.3
1
0
15.79
0
7-Hydroxy-1-methoxy-3-methylcarbazole
227.26
3.4
2
2
45.25
1
5,10-Nonacosanediol
440.80
12.1
2
2
40.46
26
5-Methylthiazole
99.16
1.4
0
2
41.13
0
5-Aminovaleric acid
117.15
-2.6
2
3
63.32
4
7-Hydroxyheptanoic acid
146.18
-0.5
2
3
57.53
6
6'-Hydroxy-3,4,2',3',4'-pentamethoxychalcone
374.40
3.7
1
7
83.45
8
6-Tetradecyne
194.36
6.6
0
0
0
8
Isomedicarpin
270.28
2.6
1
4
47.92
1
3-(3-Methylphenyl)propionic acid
164.20
2.2
1
2
37.3
3
3-(Benzyloxy)phenol
200.23
3.4
1
2
29.46
3
9-Hydroxynonanoic acid
174.24
0.4
2
3
57.53
8
p-Aspidin
460.50
4.1
4
8
141.36
9
[(1S,3S,4S,7S,10S)-4,12-diacetyloxy-15-(3-benzamido-2-hydroxy-3-phenylpropanoyl)oxy-1-hydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
986.00
1
6
18
280.21
16
2-[4-[(3aR,6aS)-6-[3,5-dimethoxy-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
742.70
-1.4
8
18
254.14
12
(1S,4S,8S,9R,11R)-9-tert-butyl-7,9-dihydroxy-3,5,12-trioxatetracyclo[6.6.0.01,11.04,8]tetradecane-2,6,13-trione
326.30
-0.3
2
8
119.36
1
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