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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
(1S,2S,9S,10S)-2-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecan-6-one
264.36
0.8
1
3
43.78
0
Calpurmenine
280.36
-0.4
2
4
64.01
0
3-beta,4-alpha,13-alpha-Trihydroxylupanine
296.36
-0.9
3
5
84.24
0
(1R,9R,10R,12R)-12-hydroxy-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4-dien-6-one
260.33
0.6
1
3
45.47
0
Isosparteine, alpha
234.38
2.5
0
2
6.48
0
(1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carbaldehyde
262.35
1.3
0
2
40.62
2
methyl (1R,2R,9R,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
292.37
1.7
0
3
49.85
3
ethyl (1S,2R,9S,10S)-6-oxo-10-prop-2-enyl-7,11-diazatricyclo[7.3.1.02,7]tridecane-11-carboxylate
306.40
2.1
0
3
49.85
4
Cinevanine
414.50
2.5
1
6
79.31
4
Calpurmeninepyrrolecarboxylic acid
373.40
1
2
5
85.87
3
Calpaurine
389.40
0.4
3
6
106.1
3
13-alpha-Hydroxymultiflorine
262.35
0.6
1
4
43.78
0
5-Dehydromultiflorine
244.33
1.5
0
3
25.24
0
15-beta-Hydroxy-17-oxolupanine
278.35
0.2
1
3
60.85
0
13-beta-Hydroxymultiflorine
262.35
0.6
1
4
43.78
0
2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyl-tetrahydropyran-2-yl]oxy-chromen-4-one
448.40
0.9
7
11
190.28
3
Vinaginsenoside R4
963.20
1.1
13
19
318.37
13
Euphorbiasteroid
552.70
4.7
0
8
108.5
8
Helicteric acid
618.80
9.6
1
6
89.9
8
8-Hydroxydihydrochelerythrine
365.40
3.7
1
6
60.39
2
(3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-3-[(3,4-dimethoxyphenyl)methyl]oxolan-2-one
370.40
3.8
0
6
63.22
6
3-deoxy-8-O-phosphono-D-manno-oct-2-ulosonic acid
318.17
-4.6
7
11
211.86
9
[(E,6R)-6-[(2S,8S,9R,10S,13R,14S,16R,17R)-2,16-dihydroxy-4,4,9,13,14-pentamethyl-3,11-dioxo-2,7,8,10,12,15,16,17-octahydro-1H-cyclopenta[a]phenanthren-17-yl]-6-hydroxy-2-methyl-5-oxohept-3-en-2-yl] acetate
558.70
2.6
3
8
138.2
6
(3S,6R,8S,9R,10S,12R,13R,16S,17R)-8-tert-butyl-6,9,12,17-tetrahydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
440.40
-1.4
4
11
169.05
1
(3S,6R,8S,10R,13R,16S,17R)-8-tert-butyl-6,17-dihydroxy-16-methyl-2,4,14,19-tetraoxahexacyclo[8.7.2.01,11.03,7.07,11.013,17]nonadecane-5,15,18-trione
408.40
0.6
2
9
128.59
1
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