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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
(3aS,4S,5aR,5bR,7aR,9S,11aR,11bR,13R,13aR,13bS)-5a,5b,8,8,11a,13b-hexamethyl-3-methylidene-2,3a,4,5,6,7,7a,9,10,11,11b,12,13,13a-tetradecahydro-1H-cyclopenta[a]chrysene-4,9,13-triol
430.70
5.6
3
3
60.69
0
2-[(1S)-1-[(8R,9S,10S,13S,14S,17R)-3,3-dimethoxy-10,13-dimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]ethyl]-5-methylpiperidine
445.70
7.6
1
3
30.49
4
(1S,2S,3R,5R,8Z,11R)-2-hydroxy-5,9-dimethyl-14-methylidene-4,12-dioxatricyclo[9.3.0.03,5]tetradec-8-en-13-one
264.32
1.4
1
4
59.06
0
[(1S,3R,4S,5R,6R,7S,8R,9R,10R,12S,13S,17S)-3-acetyloxy-4-formyl-17-(furan-3-yl)-1,6,7-trihydroxy-4,8,10,13-tetramethyl-2,3,5,6,7,9,11,12,16,17-decahydro-1H-cyclopenta[a]phenanthren-12-yl] acetate
544.60
1.8
3
9
143.5
6
(8,9-Dihydroxy-9-methyl-3,6-dimethylidene-2-oxo-3a,4,5,6a,7,8,9a,9b-octahydroazuleno[4,5-b]furan-4-yl) 2-(hydroxymethyl)prop-2-enoate
364.40
0.2
3
7
113.29
4
(3R,4R,4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-4-acetyloxy-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-3-[(2E,4E)-6-methylocta-2,4-dienoyl]oxy-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
666.90
9.1
2
7
110.13
9
Dehydrobruceine B
478.40
0.1
3
11
165.89
4
[(7S,8R)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl (2S)-2,3-dihydroxy-2-[(1R)-1-methoxyethyl]-3-methylbutanoate
329.39
-1.3
3
7
99.46
7
(2S,3S)-2-(dimethylamino)-3-methyl-N-[(3R,4S,7S,10E)-7-(2-methylpropyl)-5,8-dioxo-3-propan-2-yl-2-oxa-6,9-diazabicyclo[10.2.2]hexadeca-1(14),10,12,15-tetraen-4-yl]pentanamide
500.70
5
3
5
99.77
8
(1aS,4aS,8aR)-4a,8,8-trimethyl-1,1a,4,5,6,7-hexahydrocyclopropa[j]naphthalene-2-carboxylic acid
234.33
4.1
1
2
37.3
1
(1aR,3R,3aS,7R,7aR,7bS)-1a-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,7,7a,7b-octahydronaphtho[1,2-b]oxiren-3-ol
236.35
2.6
1
2
32.76
1
3-(2-Hydroxy-3-methylbut-3-enyl)-4,6,8-trimethoxy-1-methylquinolin-2-one
333.40
2
1
5
69.92
6
2,3-dimethyl-5-[(2E,6E,10E,14E,18E,22E,26E)-3,7,11,15,19,23,27,31-octamethyldotriaconta-2,6,10,14,18,22,26,30-octaenyl]cyclohexa-2,5-diene-1,4-dione
681.10
16.4
0
2
34.14
23
methyl (1S,10S,12S,13Z,18S)-13-ethylidene-18-formyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.010,15]octadeca-2,4,6,8-tetraene-18-carboxylate
350.40
1.3
0
5
58.97
3
methyl (1R,12R,13Z,18R)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.01,9.02,7.09,15]octadeca-2(7),3,5-triene-18-carboxylate
368.50
2.7
0
5
42.01
3
Vernosterol
410.70
8.1
1
1
20.23
5
Delphinidin 3-sambubioside
597.50
11
15
270.75
6
[(7S,8S)-7-hydroxy-5,6,7,8-tetrahydro-3H-pyrrolizin-1-yl]methyl 2-hydroxy-2-[(1S)-1-hydroxyethyl]-3-methylbutanoate
299.36
-0.4
3
6
90.23
6
3-(2,4-Dihydroxyphenyl)-7-(6-hydroxy-1-benzofuran-2-yl)-13-methyl-4,14-dioxapentacyclo[11.7.1.02,11.05,10.015,20]henicosa-2,5,7,9,11,15(20),16,18-octaene-9,17-diol
560.50
5.5
5
8
132.75
2
14-Oxotricosanoic acid
368.60
7.8
1
3
54.37
21
14-Oxotetracosanoic acid
382.60
8.3
1
3
54.37
22
Cyanidin 3-sambubioside 5-glucoside
743.60
13
19
329.67
9
[(1S,2S,3R,4S,7R,9R,10S,12R,15S)-4-acetyloxy-1,9,12-trihydroxy-15-[(2R)-2-hydroxy-3-[[(E)-2-methylbut-2-enoyl]amino]-3-phenylpropanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
789.90
1.5
5
13
215.22
12
6-[[2,5-dihydroxy-3-[(E)-1-hydroxy-3-(4-hydroxyphenyl)prop-2-enylidene]-4,6-dioxo-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohexen-1-yl]methylidene]-2,5-dihydroxy-4-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-2-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]cyclohex-4-ene-1,3-dione
910.80
-2
15
22
407.26
10
(1R,2R,3R,6R)-3-ethenyl-3,7,7-trimethyl-2-prop-1-en-2-ylbicyclo[4.1.0]heptane
204.35
5.5
0
0
0
2
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