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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
(20-Oxo-5,7,11,19-tetraoxapentacyclo[10.8.0.02,10.04,8.013,18]icosa-1(12),2,4(8),9,13(18),14,16-heptaen-16-yl) acetate
338.30
3
0
7
88.11
2
7-Dehydroporiferasterol peroxide
442.70
7.3
1
3
38.69
5
5alpha,8alpha-Epidioxycholesta-6,9(11),22-trien-3beta-ol
412.60
5.8
1
3
38.69
4
7,8-Dimethoxyflavanone
284.31
2.8
0
4
44.76
3
(E)-1-methoxyicos-4-en-3-one
324.50
8
0
2
26.3
18
(E)-1-(4-hydroxyphenoxy)icos-4-en-3-one
402.60
9.5
1
3
46.53
19
1-Methyl-2-n-decylquinolin-4(1h)-one
299.40
6.7
0
2
22
9
Methylgerambullin
419.60
4.5
0
4
72.06
11
4-Methoxy-1-methyl-3-(3-methylbut-2-enyl)quinolin-2-one
257.33
3.1
0
2
31.23
3
3,19-Dihydroxy-6,23-dioxo-12-ursen-28-oic acid
500.70
3.5
3
6
111.9
2
(1R,2R,4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-1,10-dihydroxy-9-(hydroxymethyl)-1,2,6a,6b,9,12a-hexamethyl-8-oxo-3,4,5,6,6a,7,8a,10,11,12,13,14b-dodecahydro-2H-picene-4a-carboxylic acid
502.70
3.6
4
6
115.06
2
2',4',6'-Trimethylacetophenone
162.23
2.7
0
1
17.07
1
cis-3-Hexenyl tiglate
182.26
3.1
0
2
26.3
6
Cathaformine
399.40
2.8
1
7
86.69
3
[(1S,5R,7S,10R,12S,14R,15R,16R,17S,18R,21R,22S,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacos-2-en-14-yl] acetate
676.80
2.2
5
11
164.37
4
[(1S,5R,7S,10R,12S,14R,15R,16R,17S,18R,21R,22S,24S)-21,22-dihydroxy-1,6,6,15,17,20,20-heptamethyl-7-[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxy-19,23-dioxaheptacyclo[13.10.0.02,12.05,10.010,12.016,24.018,22]pentacos-2-en-14-yl] acetate
676.80
2.2
5
11
164.37
4
methyl (E)-2-[(2S,3S)-3-ethyl-8-methoxy-2,3,4,6,7,12-hexahydro-1H-indolo[2,3-a]quinolizin-5-ium-2-yl]-3-methoxyprop-2-enoate
397.50
2.9
1
4
63.56
6
2-Butylbenzamide
177.24
2.3
1
1
43.09
4
(1R,6S,13R)-16,17-dimethoxy-6-[3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxan-2-yl]oxyprop-1-en-2-yl]-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-3(11),4(8),9,14,16,18-hexaen-12-one
704.70
-0.8
6
16
221.52
9
Nortrachelogenin-8'-O-|A-glucoside
536.50
0.9
6
12
184.6
9
heteroclitalignan D
594.60
4.5
1
11
128.21
9
(3R,4R,4aS,6aS,6aR,6bR,8aR,12aR,14aS,14bR)-4,4a,6a,6b,8a,11,11,14a-octamethyl-1,2,3,4,5,6,6a,7,8,9,10,12,12a,13,14,14b-hexadecahydropicen-3-ol
428.70
10.1
1
1
20.23
0
[5-(6-Aminopurin-9-yl)-3-hydroxyoxolan-2-yl] [hydroxy(phosphonooxy)phosphoryl] methyl phosphate
491.18
-3.8
5
16
277.33
8
(2R,3R)-5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-2,3-dihydrochromen-4-one
450.40
0.2
7
11
186.37
4
| cent-D-galactopyranoside, (3|A,5|A,15|A,25S)-15-hydroxyspirostan-3-yl 2-O-|A-D-glucopyranosyl-
756.90
2.3
8
14
217.22
6
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