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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
Articulone
216.36
4.2
0
0
0
0
(2S,3R,4aS,6aS,6bR,9S,10S,12aR,14bR)-3,10-dihydroxy-9-(hydroxymethyl)-2,4a,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-2-carboxylic acid
488.70
6.2
4
5
97.99
2
Rubinic acid
470.70
5.7
2
4
74.6
1
Ursololactone
498.70
8
0
4
52.6
2
3beta-Hydroxy-28,13-ursanolide
456.70
7.4
1
3
46.53
0
2,2,6,7-Tetramethylbicyclo[4.3.0]nona-1(9),4-diene-7,8-diol
208.30
1.7
2
2
40.46
0
Tanavulgarol
236.35
3.1
1
2
37.3
3
3-Epinobilin
346.40
2.5
1
5
72.83
3
3-Dehydronobilin
344.40
3
0
5
69.67
3
15-Hydroxyleptocarpin
378.40
1.2
2
7
105.59
4
(ent-6alpha,7alpha,12alpha)-6,7,12-Trihydroxy-16-kauren-19-oic acid
350.40
1.6
4
5
97.99
1
D-Patchoulene
204.35
4.7
0
0
0
0
Yucalexin P15
330.40
1.5
2
4
74.6
1
Desacetyllaurenobiolide
248.32
1.9
1
3
46.53
0
Diosbulbin H
418.50
2.2
1
7
103.04
6
6-O-Acetylaustroinulin
364.50
5
2
4
66.76
5
8b,17-Epoxy-12E-labdene-15,16-dial
318.40
3.6
0
3
46.67
5
(3S,7E,9S)-9-Hydroxy-4,7-megastigmadien-3-one 9-glucoside
370.40
0
4
7
116.45
5
(ent-15beta)-15-Hydroxy-19-trachylobanoic acid
318.40
4.1
2
3
57.53
1
ent-19-Trachylobanal
286.50
5.5
0
1
17.07
1
Valenciachrome
412.60
6.2
2
3
49.69
8
(1S,2R,9S,13R,15R,18S)-2,6,6,9-tetramethyl-15-prop-1-en-2-ylpentacyclo[11.7.0.02,10.05,9.014,18]icos-7-ene-1,18-dicarboxylic acid
454.60
7.4
2
4
74.6
3
2-[(2Z,4E,6E,8Z,10E,12Z,14Z,16E)-17-(4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl)-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
584.90
10.1
2
3
49.69
9
Phytoene 1,2-epoxide
560.90
14.1
0
1
12.53
20
5,8:5',8'-Diepoxy-5,5',8,8'-tetrahydro-b,b-carotene-3,3'-diol
600.90
9
2
4
58.92
8
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