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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
Hexanenitrile
97.16
1.7
0
1
23.79
3
(z,z)-3,6-Dodecadien-1-ol
182.30
3.9
1
1
20.23
8
1,7-Bis(3,4-dihydroxyphenyl)hept-1-ene-3,5-dione
342.30
2.4
4
6
115.06
7
2-Propyl-1-pentanol
130.23
2.7
1
1
20.23
5
Butyl ethyl ether
102.17
2
0
1
9.23
4
1-[3-[6-[2,4-Dihydroxy-3-(3-methylbut-1-enyl)benzoyl]-5-(2,4-dihydroxyphenyl)-3-methylcyclohex-2-en-1-yl]-2,4-dihydroxyphenyl]-3-(2,4-dihydroxyphenyl)prop-2-en-1-one
678.70
7.6
8
10
195.98
9
(2S,5R)-2,5-dimethylhexanedioic acid
174.19
1.1
2
4
74.6
5
3-Methyl-4-penten-1-ol acetate
142.20
1.9
0
2
26.3
5
9-beta-d-Arabinofuranosylade-nine
267.24
-1.1
4
8
139.54
2
9-(5-O-phosphono-beta-D-xylofuranosyl)-9H-purin-6-amine
347.22
-3.5
5
11
195.88
4
Allithiamine
354.50
0.9
2
7
142.94
9
(3S,4aR,6aR,6bS,8aR,11S,12S,12aR,14aR,14bR)-4,4,6a,6b,8a,11,12,14b-octamethyl-2,3,4a,5,6,7,8,9,10,11,12,12a,14,14a-tetradecahydro-1H-picen-3-ol
426.70
9
1
1
20.23
0
3-epi-alpha-Amyrin
426.70
9
1
1
20.23
0
3-epi-beta-Amyrin
426.70
9.2
1
1
20.23
0
(3S,4aR,6aR,6bS,8aR,12aS,14aR,14bR)-4,4,6a,6b,8a,11,11,14b-octamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,14,14a-tetradecahydropicen-3-ol
426.70
9.2
1
1
20.23
0
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
448.40
0.7
7
11
190.28
4
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2S,3R,4R,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
448.40
0.7
7
11
190.28
4
5,7-dihydroxy-2-(4-hydroxyphenyl)-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
448.40
0.7
7
11
190.28
4
kaempferol 3-O-beta-D-allopyranoside
448.40
0.7
7
11
190.28
4
(2S,3R,4S,5R,6R)-2-[[(1S,4aS,5R,7aS)-5-hydroxy-7-(hydroxymethyl)-1,4a,5,7a-tetrahydrocyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
346.33
-3
6
9
149.07
4
4,4,6a,6b,8a,11,11,14b-Octamethyl-1,2,3,4a,5,6,7,8,9,10,12,13,14,14a-tetradecahydropicen-3-ol
426.70
8.9
1
1
20.23
0
delta-Amyrin
426.70
8.9
1
1
20.23
0
6-deoxy-3-O-methyl-allose
178.18
-1.8
3
5
86.99
5
25S-Inokosterone
480.60
0.6
6
7
138.45
6
(4aS,6aR,6aR,6bR,8aR,10S,12aR,14bS)-10-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
456.70
7.5
2
3
57.53
1
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