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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
Cabraleadiol monoacetate
502.80
7.8
1
4
55.76
4
16alpha-Hydroxy-24-methylene-3-oxolanost-8-en-21-oic acid
484.70
6.3
2
4
74.6
6
(2R)-2-[(5R,10S,13R,14R,16R,17R)-16-acetyloxy-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,12,15,16,17-octahydrocyclopenta[a]phenanthren-17-yl]-6-methyl-5-methylideneheptanoic acid
524.70
6.6
1
5
80.67
8
16alpha-Acetoxy-24-methylene-3-oxolanost-8-en-21-oic acid
526.70
6.9
1
5
80.67
8
(1S,2R,5R,6R,9R,10R,13S,15S)-5-[(E,2S,5R)-5,6-dimethylhept-3-en-2-yl]-6,10-dimethyl-16,17-dioxapentacyclo[13.2.2.01,9.02,6.010,15]nonadec-18-en-13-ol
428.60
6.7
1
3
38.69
4
(2S)-6-methyl-2-[(5R,9R,10R,13S,14S,17S)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]hept-5-enal
438.70
7.4
0
2
34.14
5
(1R,2R,4aS,6aR,6aR,6bR,8aR,10S,12aR,14aR,14bS)-1,10-dihydroxy-1,2,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylic acid
474.70
6.9
3
4
77.76
1
rubiarbonol A
474.70
4.9
4
4
80.92
2
Rubiarbonol B
458.70
6.3
3
3
60.69
1
CID 12019675
466.60
2.5
2
6
91.82
2
(13aS)-2,3,6-trimethoxy-9,11,12,13,13a,14-hexahydrophenanthro[9,10-f]indolizine
363.40
4.8
0
4
30.93
3
(4aS,6aS,6bR,8aS,10S,12aR,14aS,14bS)-10-acetyloxy-2,2,6b,9,9,12a,14a-heptamethyl-12-oxo-3,4,5,6a,7,8,8a,10,11,13,14,14b-dodecahydro-1H-picene-4a-carboxylic acid
512.70
7.1
1
5
80.67
3
5alpha,6alpha-Epoxy(22e,24r)-ergosta-8(14),22-dien-3beta,7alpha-diol
428.60
5.1
2
3
52.99
4
(22E,24R)-ergosta-5alpha,6alpha-epoxide-8,22-diene-3beta,7alpha-diol
428.60
5.1
2
3
52.99
4
(8S,9S,10R,13S,14S,17S)-17-hydroxy-17-[(1R)-1-[(1S,2R,4R,6S)-2-hydroxy-1,6-dimethyl-3,7-dioxabicyclo[4.1.0]heptan-4-yl]ethyl]-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one
456.60
3.5
2
5
79.29
2
(8S,9S,10R,13S,14S,17S)-17-hydroxy-10,13-dimethyl-17-[(1R)-1-[(2R,4R,5S)-4,5,6-trihydroxy-4,5-dimethyloxan-2-yl]ethyl]-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one
474.60
2.5
4
6
107.22
2
(8S,9S,10R,13S,14S,17S)-17-[(1R)-1-[(2R,4R,5S)-5,6-dihydroxy-4-methoxy-4,5-dimethyloxan-2-yl]ethyl]-17-hydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-4H-cyclopenta[a]phenanthren-1-one
488.70
3.1
3
6
96.22
3
1-Penten-3-OL
86.13
1.1
1
1
20.23
2
(2S,3R,5R,9R,10R,13R,14S,17S)-2,3,14-trihydroxy-10,13-dimethyl-17-[(2S,5R)-2,5,6-trihydroxy-6-methylheptan-2-yl]-2,3,4,5,9,11,12,15,16,17-decahydro-1H-cyclopenta[a]phenanthren-6-one
480.60
0.5
6
7
138.45
5
2,3-O-Isopropylidenyl euscaphic acid
528.80
6.5
2
5
75.99
1
Dimethyl carbonate
90.08
0.5
0
3
35.53
2
3-Methyl-1H-pyrrole
81.12
1.1
1
0
15.79
0
3-Methylthiophene
98.17
2.3
0
1
28.24
0
2-Pyrrolidinone
85.10
-0.8
1
1
29.1
0
1,3-dihydroxy-5-methoxy-9H-xanthen-9-one
258.23
2.8
2
5
79.9
1
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