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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
(1R,3S,6S)-6-[(1E,3E,5E,7Z,9E,11E,13E,15E,17E)-18-[(1S,4S,6R)-4-hydroxy-2,2,6-trimethyl-7-oxabicyclo[4.1.0]heptan-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
600.90
9.8
2
4
65.52
10
15-cis-Violaxanthin
600.90
9.8
2
4
65.52
10
(4aS,5S,8aR)-8-methyl-3-methylidene-5-propan-2-yl-2,4,4a,5,6,8a-hexahydro-1H-naphthalene
204.35
4.2
0
0
0
1
CID 12358784
400.70
8.8
1
1
20.23
5
(3R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
400.70
8.8
1
1
20.23
5
(3R,8S,9S,10R,13R,14S,17R)-17-[(2R,5S)-5,6-dimethylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol
400.70
8.8
1
1
20.23
5
(9Z)-Canthaxanthin
564.80
11.4
0
2
34.14
10
epsilon-Carotene, (6S,6'S)-
536.90
13.7
0
0
0
10
1,4-Dicaffeoylquinic acid
516.40
1.5
7
12
211.28
9
d-Cytidintriphosphat
483.16
-5.6
7
14
299.85
8
(1S,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
456.70
8.2
2
3
57.53
2
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
456.70
8.2
2
3
57.53
2
(1R,3aR,5aR,5bR,7aR,9R,11aR,11bR,13aR,13bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid
456.70
8.2
2
3
57.53
2
Bufogenin B
402.50
2.2
3
5
90.9
1
CID 12358997
411.50
0.5
2
8
105.53
10
(1R,3aR,5aR,5bR,7aR,9S,11aS,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-ol
426.70
9.9
1
1
20.23
1
CID 12359079
432.50
2
7
115.76
0
Cyclic 3',5'-thymidine monophosphate
304.19
-1.6
2
7
129.66
1
1-Hydroxy-7-methoxy-3-methylanthraquinone
268.26
3.4
1
4
63.6
1
7-methoxy-2-phenyl-3,4-dihydro-2H-chromen-4-ol
256.30
2.7
1
3
38.69
2
2-Ethylquinoxaline
158.20
2
0
2
25.78
1
9-Methoxycamptothecin
378.40
1
1
6
90.65
2
4-[(E)-3-methoxyprop-1-enyl]phenol
164.20
1.9
1
2
29.46
3
1,2,8-Trihydroxyxanthen-9-one
244.20
2.4
3
5
90.9
0
Heptatriacontan-4-one
535.00
17.9
0
1
17.07
34
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