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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
N-Nitrosodiethanolamine
134.13
-1.5
2
5
73.13
4
2,3,3-Tribromopropenoic acid
308.75
2.5
1
2
37.3
1
Hexyl octanoate
228.37
5.3
0
2
26.3
12
(10aR)-1-hydroxy-6,6,9-trimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromene-2-carboxylic acid
358.50
7
2
4
66.76
5
Oxidase, urate
567.40
8
15
309.67
8
Frangulatrioside A
740.70
-2
11
19
308.12
8
kaempferol-3-O-hexoxyl-hexoside
610.50
-1.4
10
16
269.43
7
(5R,5aR,8aR,9R)-4-methoxy-5-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-9-(3,4,5-trimethoxyphenyl)-5a,6,8a,9-tetrahydro-5H-[2]benzofuro[6,5-f][1,3]benzodioxol-8-one
606.60
0.6
4
14
181.06
8
3,7,7-Trimethylbicyclo[4.1.0]heptan-3-ol
154.25
2.1
1
1
20.23
0
3,7-Dihydroxy-5,3',4'-trimethoxyflavone
344.30
2
2
7
98.36
4
2-(3,4-dimethoxyphenyl)-5,7-dimethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
520.50
1.1
4
12
166.51
8
Myrcenyl acetate
196.29
3.6
0
2
26.3
7
Eriodictyol 7,3'-dimethyl ether
316.30
2.7
2
6
85.22
3
2-(4-Hydroxy-3-methoxyphenyl)-6,7-dimethoxychromen-4-one
328.30
2.7
1
6
78.13
4
Flaccidin
270.28
2.6
2
4
58.92
1
5,6,13-Trimethoxy-2-oxatetracyclo[6.6.2.04,16.011,15]hexadeca-1(14),4(16),5,7,11(15),12-hexaene
298.30
3.3
0
4
36.92
3
(3S,5R,6S)-5,6-Epoxy-5,6-dihydro-3-hydroxy-8'-apo-beta,psi-carotenal
448.60
7.5
1
3
49.83
9
8,10-Nonacosanedione
436.80
12.3
0
2
34.14
26
5-(Z-heptadec-8-enyl) resorcinol
346.50
9.2
2
2
40.46
15
5-((8Z,11Z)-heptadeca-8,11-dien-1-yl)resorcinol
344.50
8.5
2
2
40.46
14
5-[(8E,11E)-heptadeca-8,11-dienyl]benzene-1,3-diol
344.50
8.5
2
2
40.46
14
Bavachin
324.40
4.1
2
4
66.76
3
2-(3,7-Dimethyl-2,6-octadienyl)-4-hydroxy-6-methoxyacetophenone
302.40
5
1
3
46.53
7
1-[2,4-Dihydroxy-6-(4-hydroxybutoxy)phenyl]ethanone
240.25
1.4
3
5
86.99
6
7-[(2-O-D-Apio-beta-D-furanosyl-beta-D-glucopyranosyl)oxy]-5-hydroxy-3-(4-methoxyphenyl)-4H-1-benzopyran-4-one
578.50
-0.6
7
14
217.97
8
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