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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
Hexadecyl docosanoate
565.00
18.4
0
2
26.3
36
3,4-Dimethoxyphenol
154.16
1.7
1
3
38.69
2
3,4,5-Trihydroxy-4-methoxycyclohexa-1,5-diene-1-carboxylic acid
202.16
-1.7
4
6
107.22
2
(9Z,12Z)-N-(2-phenylethyl)octadeca-9,12-dienamide
383.60
8.3
1
1
29.1
17
(5Z,8Z,11Z,14Z,17Z)-N-[(3-methoxyphenyl)methyl]icosa-5,8,11,14,17-pentaenamide
421.60
6.8
1
2
38.33
16
(5Z,8Z,11Z,14Z,17Z)-N-benzylicosa-5,8,11,14,17-pentaenamide
391.60
6.8
1
1
29.1
15
N(5)-Hydroxy-L-arginine
190.20
-4.1
5
5
136.66
6
3-Methylbutyl octanoate
214.34
4.8
0
2
26.3
10
(3r)-3,6,8-Trihydroxy-3,4-dihydronaphthalen-1(2h)-one
194.18
0.9
3
4
77.76
0
D-Glucopyranose, pentakis(3,4,5-trihydroxybenzoate)
940.70
3.6
15
26
444.18
16
5-[(2R,3R)-7-Methoxy-3-methyl-5-[(1E)-prop-1-EN-1-YL]-2,3-dihydro-1-benzofuran-2-YL]-2H-1,3-benzodioxole
324.40
4.6
0
4
36.92
3
(1S,3aS,4R,8aR,9S)-1,5,5,8a-tetramethyldecahydro-1,4-methanoazulen-9-ol
222.37
4.5
1
1
20.23
0
(1S,3aS,4R,8aR,9R)-1,5,5,8a-tetramethyldecahydro-1,4-methanoazulen-9-ol
222.37
4.5
1
1
20.23
0
Uralsaponin Q
941.10
1.8
10
19
308.89
8
Uralsaponin R
971.10
1.8
11
20
329.12
9
PQ6CF5PB4L
458.50
-1.3
6
11
167.53
7
1-O-beta-GLUCOPYRANOSYL-(2S,3R,8Z)-2-N-((2'R)-HYDROXYPALMITOYL)-8-SPHINGENINE
716.00
10.1
7
9
168.94
33
10 Hydroxyipomeabisfuran
262.30
1.6
1
4
55.74
4
(1S,2S,3S,9R,10S,17S)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
680.70
6.8
8
9
171.07
4
Uralsaponin P
824.90
2.9
9
16
270.2
7
Coagulin Q
620.80
2.5
6
10
166.14
5
(1S,2S,3S,9R,10S,17R)-3-(3,5-dihydroxyphenyl)-2,9,17-tris(4-hydroxyphenyl)-8-oxapentacyclo[8.7.2.04,18.07,19.011,16]nonadeca-4(18),5,7(19),11(16),12,14-hexaene-5,13,15-triol
680.70
6.8
8
9
171.07
4
Uralsaponin M
881.00
3
8
18
293.34
9
2-Methylbutyl butyrate
158.24
2.6
0
2
26.3
6
(2R,3S)-3,7,4'-Trihydroxy-5-methoxy-8-prenylflavanone
370.40
3.5
3
6
96.22
4
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