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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,6R,7R)-3-butyl-6,7-dihydroxy-4,5,6,7-tetrahydro-3H-2-benzofuran-1-one
226.27
0.5
2
4
66.76
3
1,5-Dihydroxy-3-methoxy-7-methylanthracene-9,10-dione
284.26
3.6
2
5
83.83
1
Nervosanin
534.60
1.9
1
10
142.5
8
methyl (4R,8R,9R,10R,11R,12R,13S,17S)-11-acetyloxy-17-(furan-3-yl)-6-hydroxy-4,8,10,13-tetramethyl-12-(2-methylpropanoyloxy)-3,7-dioxo-11,12,16,17-tetrahydro-9H-cyclopenta[a]phenanthrene-4-carboxylate
594.60
3.9
1
10
146.41
8
methyl (4R,8R,9R,10R,11R,12R,13S,17R)-11-acetyloxy-6-hydroxy-17-(2-hydroxy-5-oxo-2H-furan-4-yl)-4,8,10,13-tetramethyl-12-(2-methylpropanoyloxy)-3,7-dioxo-11,12,16,17-tetrahydro-9H-cyclopenta[a]phenanthrene-4-carboxylate
626.60
2.6
2
12
179.8
8
(1R,4aR,7R,7aR)-7-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carbaldehyde
360.36
-2
5
9
145.91
4
[(2R,3R)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
344.30
2.7
2
7
102.29
4
[(2R,3S)-5-hydroxy-2-(4-hydroxyphenyl)-7-methoxy-4-oxo-2,3-dihydrochromen-3-yl] acetate
344.30
2.7
2
7
102.29
4
Eicosyl p-coumarate
444.70
11.8
1
3
46.53
22
[(1S,2R,4S,9R,10S,13S,16R)-16-hydroxy-5,5,9-trimethyl-14-methylidene-6,15-dioxo-2-tetracyclo[11.2.1.01,10.04,9]hexadecanyl] acetate
374.50
2.3
1
5
80.67
2
Genipin 10-acetate
268.26
-0.2
1
6
82.06
5
(2Z)-2-[(2R,3S,4S)-4-hydroxy-3-(hydroxymethyl)-2-(3-hydroxypropyl)-4-methyl-3-[(3E,7E)-4,8,12-trimethyltrideca-3,7,11-trienyl]cyclohexylidene]propanal
474.70
6.2
3
4
77.76
14
Piscerygenin
316.26
2.3
4
7
120.36
2
7-Hydroxy-3-(8-methoxy-2,2-dimethylchromen-6-yl)chromen-4-one
350.40
3.7
1
5
68.9
2
[(2E)-3,7-dimethyl-4-oxoocta-2,6-dienyl] acetate
210.27
2.1
0
3
43.37
6
(1S,2R,4R,5R)-2-Isopropyl-5-methylcyclohexane-1,4-diol
172.26
1.9
2
2
40.46
1
(S)-1-Benzyl-pyrrolidine-3-carboxylic acid
205.25
-0.9
1
3
40.54
3
Lantadene D
540.80
7.6
1
5
80.67
4
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-6-methyl-6-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
799.00
1.9
9
14
236.06
11
(3S,8S,9R,10R,13R,14S,17R)-17-[(2R,5R)-5-hydroxy-6-methyl-6-[(2S,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]oxyheptan-2-yl]-4,4,9,13,14-pentamethyl-3-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,2,3,7,8,10,12,15,16,17-decahydrocyclopenta[a]phenanthren-11-one
961.10
-0.3
12
19
315.21
14
Methoxybrassenin B
294.40
3.8
0
4
94.19
4
Methyl 3-hydroxybutyrate
118.13
-0.2
1
3
46.53
3
4',5'-Dihydropsoralen
188.18
1.9
0
3
39.44
0
3-(Pyrazol-1-yl)-L-alanine
155.15
-3.4
2
4
81.14
3
3-Hydroxyhexanoic acid
132.16
0.4
2
3
57.53
4
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