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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
2-(3,4-dihydroxyphenyl)-3,5,8-trihydroxy-7-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
480.40
0
9
13
230.74
4
[(3S,8S,9R,10R,12R,13S,14R,17S)-17-Acetyl-3,8,14,17-tetrahydroxy-10,13-dimethyl-1,2,3,4,7,9,11,12,15,16-decahydrocyclopenta[a]phenanthren-12-yl] benzoate
484.60
1.9
4
7
124.29
4
Kainic acid
213.23
-1.8
3
5
86.63
4
2(3H)-Furanone, 5-ethenyldihydro-5-methyl-
126.15
1
0
2
26.3
1
6,6-Dimethyl-2-methylenebicyclo[3.1.1]hept-3-yl acetate
194.27
2.4
0
2
26.3
2
(4aS,6aS,6aS,6bR,8aR,9S,10R,11R,12R,12aR,14bS)-10,11,12-trihydroxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
504.70
4.9
5
6
118.22
2
4,5-dimethoxy-2-[(1,2,10-trimethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-9-yl)oxy]benzaldehyde
505.60
4.3
0
8
75.69
8
Methyl oleanolate acetate
512.80
8.4
0
4
52.6
4
Indole-3-carboxaldehyde
145.16
1.7
1
1
32.86
1
Ochrocarpinone C
518.70
6.7
1
5
80.67
7
Isolongifolene
204.35
5
0
0
0
0
Digalactosyl diglyceride
458.50
-3.8
8
13
207.99
12
(13Z)-beta-Carotene
536.90
13.5
0
0
0
10
[(1R,2S,3S,4S,6R,7S,10S,11R,16R,17R)-6-[(1R)-1-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]ethyl]-2,16,17-trihydroxy-7,11-dimethyl-12-oxo-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-13-en-3-yl] acetate
544.60
1.6
3
9
142.89
4
Bufotenine
204.27
1.2
2
2
39.26
3
(1R,9Z,11S,13S,17R,25Z,27S,28Z,33S,35S,36S,38Z)-28,38-di(ethylidene)-8,14,24,30-tetrazaundecacyclo[25.5.2.211,14.11,26.110,17.02,7.013,17.018,23.030,33.08,35.024,36]octatriaconta-2,4,6,9,18,20,22,25-octaene
552.70
4.3
0
4
12.96
0
2-[(3aS,6aS,7S,8R,10aR)-7-(carboxymethyl)-2,7-dimethyl-5-oxo-3a,6,6a,8,9,10-hexahydro-1H-cyclopenta[j]isochromen-8-yl]-2-methylpropanoic acid
364.40
2.3
2
6
100.9
4
Theanaphthoquinone
534.50
1.6
7
11
194.21
2
(1S,2R,4aS,6aR,6aS,6bR,8aR,10S,12aS,14bS)-10-hydroxy-4a-(hydroxymethyl)-1,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,5,6,6a,7,8,8a,10,11,12,14b-tetradecahydropicen-13-one
456.70
6.4
2
3
57.53
1
(1S,4S,5R,8R,10R,11R,13S,14R,17S,18R,19S,20R)-10,11-dihydroxy-4,5,9,9,13,19,20-heptamethyl-24-oxahexacyclo[15.5.2.01,18.04,17.05,14.08,13]tetracos-15-en-23-one
470.70
6.2
2
4
66.76
0
(1S,2S,4aR,5R,8R,8aS)-4a-methyl-2-propan-2-ylspiro[1,2,3,4,5,6,7,8a-octahydronaphthalene-8,2'-oxirane]-1,5-diol
254.36
2
2
3
52.99
1
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,7-bis[[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy]chromen-4-one
640.50
-1.1
10
17
278.66
8
(2S)-5-(diaminomethylideneamino)-2-[[4-[[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-7,11-dimethyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl]oxy]-4-oxobutanoyl]amino]pentanoic acid
640.80
2.3
4
9
199.84
12
(3S,4R,5S)-3-[9-[(5R)-5-[(1R,4R)-1,4-dihydroxy-4-[(2R,5R)-5-[(1S)-1-hydroxyundecyl]oxolan-2-yl]butyl]oxolan-2-yl]nonyl]-4-hydroxy-5-methyloxolan-2-one
640.90
8.8
4
8
125.68
25
2-[4,5-dihydroxy-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-5,7-dihydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
642.50
-2
12
18
309.89
7
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