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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
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-15-[(2R,3S)-3-(butanoylamino)-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
777.90
1.1
5
13
215.22
13
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-Acetyloxy-1,9,12-trihydroxy-15-[(2R,3S)-2-hydroxy-3-phenyl-3-(propanoylamino)propanoyl]oxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
763.80
0.7
5
13
215.22
12
(5S,8S,8aS)-3,8-dimethyl-5-prop-1-en-2-yl-1,2,4,5,6,7,8,8a-octahydroazulene
204.35
4.6
0
0
0
1
Lycopene 5,6-epoxide
552.90
14.1
0
1
12.53
16
2,12-dimethoxy-2,3,5,6,8,9-hexahydro-1H-indolo[7a,1-a]isoquinoline
285.40
2.3
0
3
21.7
2
8-c-glucosyl-(2'-O-cinnamoyl)-7-O-methylaloediol a
572.60
0.6
6
12
196.35
9
Hunterioside
678.70
-4.2
10
15
252.88
10
(2S,3R,4R,5R,6S)-2-[(2R,3S,4S,5R,6R)-4-hydroxy-2-(hydroxymethyl)-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[(1R,2S,4S,6R,7S,8R,9S,12S,13S,16S,18R)-7,9,13-trimethyl-5'-methylidenespiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-16-yl]oxyoxan-3-yl]oxy-6-methyloxane-3,4,5-triol
885.00
1
9
17
255.91
8
Sesaminone
370.40
1.9
1
7
83.45
4
(-)-Pinene
136.23
2.6
0
0
0
0
[D-Asp3, (E)-Dhb7]microcystin-Hty
1045.20
2.1
12
14
372.16
16
Burnamine-17-O-3'',4'',5''-trimethoxybenzoate
562.60
3.3
1
10
104.79
9
3',5'-Dihydroxy-2',4',6'-trimethoxydihydrochalcone
332.30
2.7
2
6
85.22
7
(2R)-5-(hydroxymethyl)-2-[(1R)-2-hydroxy-1-[(5R,6R,8S,9S,10R,12R,13S,14S,17R)-5,6,12-trihydroxy-10,13-dimethyl-1-oxo-6,7,8,9,11,12,14,15,16,17-decahydro-4H-cyclopenta[a]phenanthren-17-yl]ethyl]-4-methyl-2,3-dihydropyran-6-one
504.60
1.4
5
8
144.52
4
Unanisoflavan
370.40
4.9
2
5
68.15
5
Androstan-3-one, 6,17-dihydroxy-, (5alpha,6alpha,17beta)-
306.40
2.3
2
3
57.53
0
(2S,3R,4R,5S)-2-[[(1R,2S,3S)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
552.60
0.5
6
12
176.76
9
(2R,3S,4S,5S)-2-[[(1S,2R,3R)-7-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)-3-(hydroxymethyl)-6,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-2-yl]methoxy]oxane-3,4,5-triol
552.60
0.5
6
12
176.76
9
(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a,9-diol
428.70
7.7
2
2
40.46
1
3'-Methoxypongapin
366.30
3.5
0
7
80.27
3
Erysubin A
352.30
3.2
3
6
104.04
2
H-Val-D-gGlu-D-Arg-Gly-OH
459.50
-4.9
8
9
252.32
15
(3S,5S)-[6]-Gingerdiol
296.40
3
3
4
69.92
10
2H-1-Benzopyran-6-ol, 2,8-dimethyl-2-(4,8,12-trimethyltridecyl)-
400.60
9.9
1
2
29.46
12
Hentriacontanal
450.80
15.2
0
1
17.07
29
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