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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
(4R,4aS,6aS,6aS,6bR,8aS,10R,11S,12aR,14aS,14bS)-10-hydroxy-11-(hydroxymethyl)-4,4a,6a,6b,8a,11,14a-heptamethyl-2,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydro-1H-picen-3-one
458.70
7.6
2
3
57.53
1
Subluteolide
362.40
0.3
1
7
97.89
3
Repin
362.40
0.3
1
7
97.89
3
Argolide
248.32
2.3
0
3
43.37
0
7-Deacetoxytaxinine J
650.80
4.7
0
10
131.5
12
1-Hydroxybaccatin I
652.70
0.6
1
14
190.56
12
Kkviercikbqlqg-vgmnwlobsa-
188.22
-1.3
3
4
73.22
4
(1R,4S,7R)-1-(2-hydroxyethyl)-7-(hydroxymethyl)-2-oxabicyclo[2.2.1]heptan-7-ol
188.22
-1.3
3
4
69.92
3
Rabdoserrin B
366.40
0.2
5
6
118.22
1
2,11,12,16-Tetrahydroxy-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-one
350.40
1.4
4
5
97.99
0
rabdoinflexin B
350.40
0.9
4
5
97.99
0
3alpha-Hydroxylup-20(29)-ene-23,28-dioic acid
486.70
7.5
3
5
94.83
3
(1R,3aS,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-9-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
618.80
6.6
5
8
136.68
5
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14aS,14bS)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,4,5,6a,7,8,9,10,12,12a,13,14,14b-tetradecahydropicene-3,6-dione
440.70
8.2
0
2
34.14
0
(4R,4aS,6aS,6aS,6bR,8aR,12aR,14bR)-4,4a,6a,6b,8a,11,11-heptamethyl-1,2,4,5,6,6a,7,8,9,10,12,12a,13,14b-tetradecahydropicen-3-one
410.70
8.3
0
1
17.07
0
Dihydro-alpha-santalic acid
236.35
4.2
1
2
37.3
5
28-Deoxonimbolide
452.50
2.4
0
6
74.97
4
Teuvincenone A
358.40
3
3
6
104.06
0
Teuvincenone B
344.40
4.8
3
5
86.99
0
Teuvincenone D
328.40
4.6
2
4
66.76
0
beta-Vetivenene
202.33
4.4
0
0
0
0
(1R,2S,5S,8R)-7,7-dimethyl-6-methylidenetricyclo[6.2.1.01,5]undecane-2-carbaldehyde
218.33
3.6
0
1
17.07
1
Epizizanal
218.33
3.6
0
1
17.07
1
(14-Methyl-5,9-dimethylidene-4-oxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) propanoate
318.40
1.9
0
5
65.13
3
[(1R,2S,3R,4S,7R,9R,10S,12R,15S)-4,12-diacetyloxy-1,9,15-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
586.60
1.2
3
11
165.89
7
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