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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,9S,10S,11R)-7-benzoyl-10-(4-hydroxy-4-methylpentyl)-4,4,10-trimethyl-11-(3-methylbut-2-enyl)-5-oxatricyclo[7.3.1.01,6]tridec-6-ene-8,13-dione
520.70
6.6
1
5
80.67
8
(4S,6aR,12aR,12bR)-11-methyl-4-oxido-1,2,3,5,6,6a,12a,12b-octahydrochromeno[2,3-g]indolizin-4-ium-12-one
273.33
2
0
3
49.36
0
[(1S,3R,8R,10S,11R,12S,16R)-5,11,15,15-tetramethyl-6-oxo-2,7-dioxapentacyclo[8.8.0.01,3.04,8.011,16]octadec-4-en-12-yl] acetate
374.50
2.9
0
5
65.13
2
2,4,6-trihydroxy-5-[(1R)-1-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2,8-dimethyl-4,4a,5,6,7,8-hexahydro-3H-naphthalen-2-yl]-3-methylbutyl]benzene-1,3-dicarbaldehyde
472.60
6.2
4
6
115.06
7
[(1S,2S,6S,7S,9R,13S,14R,15S,16S,17S)-4,15-dimethoxy-2,6,14,17-tetramethyl-3,11-dioxo-10-oxatetracyclo[7.7.1.02,7.013,17]heptadec-4-en-16-yl] 7-methoxy-1,3-benzodioxole-5-carboxylate
570.60
4.5
0
10
115.82
6
[(2S,3R,4R,5R,6S)-2-[[(1R,3S,5S,6S,7R,8R,20R,22R,24R,25R,26S)-7-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S)-2-methylbutanoyl]oxyoxan-2-yl]oxy-25,26-dihydroxy-5,24-dimethyl-10-oxo-20-pentyl-2,4,9,21,23-pentaoxatricyclo[20.4.0.03,8]hexacosan-6-yl]oxy]-4-hydroxy-6-methyl-5-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-3-yl] dodecanoate
1251.50
8.2
8
24
333.04
26
Yunaconitine
659.80
1.2
2
12
142.45
12
H-DL-Pyr-D-Arg-Val-Cys(1)-Pro-Arg-Ile-Leu-Lys-Lys-Cys(2)-Arg-Arg-Asp-Ser-Asp-Cys(3)-Pro-Gly-Glu-Cys(1)-Ile-Cys(2)-Gln-Gly-Asn-Gly-Tyr-Cys(3)-Gly-NH2
3334.90
-18.2
50
53
1588.49
59
(2S)-5-methoxy-8,8-bis(3-methylbut-2-enyl)-2-phenyl-2,3-dihydrochromene-4,7-dione
406.50
4.9
0
4
52.6
6
[(1R,3E,5R,7S,10E,12S,13S,14S)-1-acetyloxy-10-(hydroxymethyl)-3,6,6,14-tetramethyl-2-oxo-13-tricyclo[10.3.0.05,7]pentadeca-3,10-dienyl] 2-phenylacetate
494.60
4.6
1
6
89.9
7
[(1R,3E,5R,7S,11R,12S,13S,14S)-1-acetyloxy-11-hydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] (E)-3-phenylprop-2-enoate
506.60
5.4
1
6
89.9
6
[(1R,3E,5R,7S,9R,11R,12S,13S,14S)-1,9-diacetyloxy-11-hydroxy-3,6,6,14-tetramethyl-10-methylidene-2-oxo-13-tricyclo[10.3.0.05,7]pentadec-3-enyl] benzoate
538.60
4.3
1
8
116.2
7
(1S,2R,4S,8S)-4-methoxy-14-oxa-7-azatetracyclo[6.6.1.01,11.02,7]pentadeca-9,11-dien-13-one
247.29
0.7
0
4
38.77
1
5-[(1S)-1-[(1aR,4R,4aR,7S,7aS,7bR)-4-methoxy-1,1,4,7-tetramethyl-1a,2,3,4a,5,6,7a,7b-octahydrocyclopropa[h]azulen-7-yl]-3-methylbutyl]-2,4,6-trihydroxybenzene-1,3-dicarbaldehyde
486.60
6.7
3
6
104.06
7
(4Z)-4-ethylidene-1-methoxy-5,6-dihydro-1H-pyrano[3,4-c]pyran-8-one
210.23
0.1
0
4
44.76
1
3-[[(2R,3S,4S,5R,6S)-5-acetyloxy-3,4-dihydroxy-6-[5-hydroxy-2-(4-methoxyphenyl)-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]-3-oxopropanoic acid
574.50
1.5
4
14
208.49
11
(Z)-5-[(1S,4aS,8aS)-5,5,8a-trimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enal
288.50
6.2
0
1
17.07
4
Azuleno(4,5-b)furan-2(3H)-one, decahydro-3,8-dihydroxy-3-(hydroxymethyl)-9-methyl-6-methylene-, (3R-(3alpha,3aalpha,6aalpha,8beta,9alpha,9aalpha,9bbeta))-
282.33
0.8
3
5
86.99
1
Benzyl alcohol, cinnamate
238.28
3.8
0
2
26.3
5
(2S,3R,4S,5S,6R)-2-[4-[(3S,3aS,6S,6aS)-6-[3,5-dimethoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]furan-3-yl]-2,6-dimethoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
742.70
-1.4
8
18
254.14
12
(2,18'-Dihydroxy-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-3'-yl) acetate
544.70
4.9
2
7
97.75
2
8-Methyl-8-azabicyclo[3.2.1]oct-3-yl 3-(acetyloxy)-2-phenylpropanoate
331.40
2.4
0
5
55.84
7
3-[(1R,3S,5S,8R,9S,10R,11R,13R,14S,17R)-1,5,11,14-tetrahydroxy-10-(hydroxymethyl)-13-methyl-3-[(2R,3R,4R,5S,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-2,3,4,6,7,8,9,11,12,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl]-2H-furan-5-one
584.70
-1.7
8
12
206.6
4
Acoronene
234.33
2.6
0
2
34.14
1
Acoric acid
268.35
1.8
1
4
71.44
5
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