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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
Paeonenoide C
442.60
4.4
3
4
77.76
1
2-Propenamide, 3-phenyl-
147.17
1.4
1
1
43.09
2
(1R,5R,8R)-8-[(8S,9S,10R,11S,12S,13S,14S,17R)-11,12-dihydroxy-10,13-dimethyl-1-oxo-4,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]-5-methyl-4-methylidene-2,6-dioxabicyclo[3.3.1]nonan-3-one
468.60
3
2
6
93.06
1
(1S,2R,7S,9R,11R,12R,14S,16R,17R)-2,17-dimethyl-16-[(1R,4R,5R)-1-methyl-8-methylidene-7-oxo-2,6-dioxabicyclo[3.3.1]nonan-4-yl]-8,13-dioxahexacyclo[9.8.0.02,7.07,9.012,14.012,17]nonadec-4-en-3-one
466.60
3
0
6
77.66
1
4,5-Dimethoxy-[1,3]dioxolo[4,5-h]chromen-8-one
250.20
1.7
0
6
67.13
2
Butyl chlorogenate
410.40
1.2
5
9
153.75
9
henricioside H2
638.80
1.5
6
10
158.3
9
(2S)-2-(2,3-dimethoxyphenyl)-5,7-dimethoxy-2,3-dihydrochromen-4-one
344.40
2.8
0
6
63.22
5
5-Hydroxy-7,2',3'-trimethoxyflavone
328.30
2.4
1
6
78.13
4
2-(3-Hydroxy-5-methoxyphenyl)-3-methoxyfuro[2,3-h]chromen-4-one
338.30
3.4
1
6
82.04
3
2-(3,5-Dimethoxyphenyl)-3-methoxyfuro[2,3-h]chromen-4-one
352.30
3.7
0
6
71.04
4
6-Hydroxy-3-methoxy-2-phenylfuro[2,3-h]chromen-4-one
308.30
3.4
1
5
72.81
2
3,9-Dihydroxy-4-methoxy-[1]benzofuro[3,2-c]chromen-6-one
298.25
2.7
2
6
93.04
1
[(3aR,4R,6aR,9S,9aS,9bS)-6-formyl-9-hydroxy-9-(hydroxymethyl)-3-methylidene-2-oxo-4,6a,7,8,9a,9b-hexahydro-3aH-azuleno[4,5-b]furan-4-yl] 2-methylpropanoate
364.40
0.5
2
7
110.13
5
(1S,3aR,4S,8aR)-1,4-dimethyl-2,3,3a,5,6,8a-hexahydroazulene-1,4-diol
196.29
1.4
2
2
40.46
0
Ajugapantin A
550.60
1.6
0
11
144.03
12
Ajugamarin C1
466.50
0.5
2
9
131.89
8
(1R,2S,4aR,6S,8aS)-1-[2-[(1R,2S,4aR,6S,8aS)-2,6-dihydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]ethyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-2,6-diol
450.70
5.1
4
4
80.92
3
(1R,2S,4aR,6R,8aS)-1-[2-[(1R,2S,4aR,6S,8aS)-2,6-dihydroxy-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalen-1-yl]ethyl]-5,5,8a-trimethyl-1,2,3,4,4a,6,7,8-octahydronaphthalene-2,6-diol
450.70
5.1
4
4
80.92
3
(2R,4R,5R,6S,8S)-2-hydroxy-5-methyl-2,6,8-tris(3-methylbut-2-enyl)-5-(4-methylpent-3-enyl)-4-(2-methylpropanoyl)cyclooctane-1,3-dione
526.80
9.6
1
4
71.44
11
(2R,3R)-2-[5-[(1R,5S,6R)-5-(2,4-dihydroxyphenyl)-6-(5-hydroxy-2,2-dimethylchromene-6-carbonyl)-3-methylcyclohex-2-en-1-yl]-2-hydroxyphenyl]-3,7-dihydroxy-2,3-dihydrochromen-4-one
676.70
6
6
10
173.98
5
2-[3-[(1R,5S,6R)-6-(2,4-dihydroxybenzoyl)-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-4-hydroxyphenyl]-3,7-dihydroxychromen-4-one
608.60
5.4
7
10
188.89
5
Delphinidin 3-arabinoside cation
435.40
8
10
191.6
3
Cyanidin 3-arabinoside cation
419.40
7
9
171.37
3
Peonidin 3-arabinoside cation
433.40
6
9
160.37
4
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