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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
[(3S,3aR,4S,9aR,9bS)-3,6,9-trimethyl-4-(3-methylbutanoyloxy)-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl] (Z)-2-methylbut-2-enoate
444.50
3.3
0
7
95.97
7
[(3S,3aR,4S,9aR,9bS)-3,6,9-trimethyl-4-(3-methylbut-2-enoyloxy)-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl] (Z)-2-methylbut-2-enoate
442.50
3.5
0
7
95.97
6
[(3S,3aR,4S,9aR,9bS)-3,6,9-trimethyl-2,7-dioxo-4-propanoyloxy-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl] (Z)-2-methylbut-2-enoate
416.50
2.5
0
7
95.97
6
[(3S,3aR,4S,9aR,9bS)-3,6,9-trimethyl-4-[(Z)-2-methylbut-2-enoyl]oxy-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-3-yl] 2-methylbutanoate
444.50
3.5
0
7
95.97
7
[(3S,3aR,4S,9aR,9bS)-3,6,9-trimethyl-3-(2-methylpropanoyloxy)-2,7-dioxo-4,5,9a,9b-tetrahydro-3aH-azuleno[4,5-b]furan-4-yl] (Z)-2-methylbut-2-enoate
430.50
3.1
0
7
95.97
6
[(2S,4R)-4-hydroxypentan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
250.29
2.4
2
4
66.76
6
(3S,11aR,11bR)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,10,11,11a,11b-hexahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
333.40
-1.7
3
7
116.22
5
(3S,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,10,11,11a,11b-hexahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
333.40
-1.7
3
7
116.22
5
(3S,11aR,11bR)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
335.40
-1.7
3
7
116.22
5
(3S,11aS,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
335.40
-1.7
3
7
116.22
5
(3S,11aR,11bS)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
335.40
-1.7
3
7
116.22
5
(3S,11aS,11bR)-5-[(3S)-3-amino-3-carboxypropyl]-2,3,8,9,10,11,11a,11b-octahydro-1H-pyrido[2,1-f][1,6]naphthyridine-3-carboxylic acid
335.40
-1.7
3
7
116.22
5
(2R,3R,4S,5S,6R)-2-[(1S,2R)-1,3-dihydroxy-1-(3,4,5-trimethoxyphenyl)propan-2-yl]oxy-6-(hydroxymethyl)oxane-3,4,5-triol
420.40
-1.9
6
11
167.53
9
methyl (1R,4aS,5S,6S,7R,7aS)-1,5,6,7-tetrahydroxy-7-methyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
260.24
-2
4
7
116.45
2
(NZ)-N-(7-methylsulfanylheptylidene)hydroxylamine
175.29
2.2
1
3
57.89
7
[(5R,7R,8R,9R,10R,13S,17S)-17-[(3R,5R)-5-[(1R)-1,2-dihydroxy-2-methylpropyl]oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
528.70
4.8
2
6
93.06
5
[(5R,7R,8R,9R,10R,13S,17S)-17-[(3R,5R)-5-[(1S)-1,2-dihydroxy-2-methylpropyl]oxolan-3-yl]-4,4,8,10,13-pentamethyl-3-oxo-5,6,7,9,11,12,16,17-octahydrocyclopenta[a]phenanthren-7-yl] acetate
528.70
4.8
2
6
93.06
5
S-(-)-N-trans-Feruloyl normetanephrine
359.40
1
4
6
108.25
7
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(2R,3S,4S,5R,6R)-3,4,5-trihydroxy-6-[(2,6,6-trimethylcyclohexen-1-yl)methoxy]oxan-2-yl]methoxy]oxane-3,4,5-triol
478.50
-1.8
7
11
178.53
7
8,4'-Dihydroxy-7,3',5'-trimethoxyflavone
344.30
2.4
2
7
98.36
4
Dihydroberberine
337.40
3.5
0
5
40.16
2
(1R,3R,4R,5S)-3,4-bis[[(E)-3-(3,4-dihydroxyphenyl)prop-2-enoyl]oxy]-1,5-dihydroxycyclohexane-1-carboxylic acid
516.40
1.5
7
12
211.28
9
2-(4-hydroxyphenyl)ethyl (4S,5E,6S)-5-ethylidene-4-[2-[4-(2-hydroxyethyl)phenoxy]-2-oxoethyl]-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4H-pyran-3-carboxylate
630.60
1
6
13
201.67
14
(3R,3aR,5aR,5bS,7aS,9R,11aS,11bR,13aS,13bR)-3a,5a,7a,11b,13a-pentamethyl-8-methylidene-3-propan-2-yl-2,3,4,5,5b,6,7,9,10,11,11a,12,13,13b-tetradecahydro-1H-cyclopenta[a]chrysen-9-ol
426.70
9.3
1
1
20.23
1
(E)-1-[2,4-dihydroxy-3-[(E,1S,5S)-5-hydroxy-1,7-diphenylhept-2-enyl]-6-methoxyphenyl]-3-phenylprop-2-en-1-one
534.60
7.8
3
5
86.99
12
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