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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
Citronellyl isovalerate
240.38
5
0
2
26.3
9
(7S,8R)-6-Methylidene-5-oxo-8-(3,4,5-trimethoxyphenyl)-7,8-dihydrobenzo[f][1,3]benzodioxole-7-carboxylic acid
412.40
3
1
8
100.52
5
(1R,2S,4R,5R,6R,7R,10S,11R,14S,16R)-5,14-dihydroxy-7-methyl-6-(6-oxopyran-3-yl)-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecane-11-carbaldehyde
414.50
1.4
2
6
100.27
2
(2R,3R,4S,5S,6R)-2-[[(1R,2R,4R,4aR,6S,8aR)-2,4-dihydroxy-4,8a-dimethyl-6-prop-1-en-2-yl-1,2,3,4a,5,6,7,8-octahydronaphthalen-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
416.50
0.6
6
8
139.84
4
1,8-dihydroxy-3-methyl-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
432.40
0.9
6
10
173.98
3
(1R,2S,14S,15R)-4,25-dimethoxy-8,12,17,21-tetraoxaheptacyclo[13.11.0.02,14.03,11.05,9.018,26.020,24]hexacosa-3(11),4,6,9,18(26),19,22,24-octaene-13,16-dione
432.40
3.2
0
8
97.34
2
6-Deoxoteasterone
434.70
7.3
3
3
60.69
5
Calarene epoxide
220.35
3.7
0
1
12.53
0
methyl (2S,3R,4S)-3-ethenyl-4-[(E)-4-methoxy-4-oxobut-1-enyl]-2-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-3,4-dihydro-2H-pyran-5-carboxylate
444.40
-0.6
4
11
161.21
10
11-debenzoyloxyorthosiphol D
448.50
2
2
8
127.2
5
(2R,3R,4S,5S,6R)-2-[(E)-3-(4-methoxyphenyl)prop-2-enoxy]-6-[[(2S,3R,4S,5S)-3,4,5-trihydroxyoxan-2-yl]oxymethyl]oxane-3,4,5-triol
458.50
-2
6
11
167.53
8
Meliastatin 4
500.70
5.4
2
5
83.83
7
[(3S,4R,5S)-5-[(2R,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-(2-phenylethoxy)oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-hydroxybenzoate
536.50
0
6
12
184.6
11
Tristearin
891.50
25.2
0
6
78.9
56
2''-O-Galloylisoorientin
600.50
1
10
15
268.04
6
Jimenezin
622.90
9.7
3
7
105.45
24
[(1S,2R,4S,6S,7S,8R,9S,10S,11R,12S,13R)-2,7-diacetyloxy-8-benzoyloxy-6-hydroxy-5,5,9,13-tetramethyl-12-(methylaminomethyl)-14-oxo-15,16-dioxatetracyclo[11.2.1.01,10.04,9]hexadecan-11-yl] benzoate
707.80
4.4
2
13
172.99
12
Tripalmitin
807.30
21.9
0
6
78.9
50
8-Methylnonanoic acid
172.26
3.8
1
2
37.3
7
(2S,3R,4S,5R)-2-[(2S,3R,4S,5S,6R)-2-[(2R,3R,4S,5R,6R)-4,5-dihydroxy-2-[[(1S,2R,5R,7S,10S,11R,12R,15S,16S,17R,20S,21S,23R)-12-hydroxy-20-(hydroxymethyl)-1,2,6,6,10,16,17-heptamethyl-22-oxahexacyclo[12.9.0.02,11.05,10.015,20.021,23]tricos-13-en-7-yl]oxy]-6-methyloxan-3-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl]oxyoxane-3,4,5-triol
913.10
1
10
17
270.21
8
Namonin D
927.00
-1.2
9
19
282.21
8
Lapathoside B
1016.90
3.6
8
22
322.42
24
[(2S,3R,4S,5R)-2-[(2S,3R,4S,5S)-3-acetyloxy-5-hydroxy-2-[[(3S,8R,9S,10R,13S,14S,16S,17S)-17-hydroxy-10,13-dimethyl-17-[(2S)-6-methyl-3-oxoheptan-2-yl]-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-16-yl]oxy]oxan-4-yl]oxy-4,5-dihydroxyoxan-3-yl] 3,4,5-trimethoxybenzoate
1257.40
0.5
11
27
393.73
23
Trimyristin
723.20
18.7
0
6
78.9
44
Benzenamine, 2-(1-cyclohexen-1-yl)-
173.25
3
1
1
26.02
1
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