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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
(1R,4aR,6R,7S,7aR)-6-hydroxy-7-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1,4a,5,6,7,7a-hexahydrocyclopenta[c]pyran-4-carboxylic acid
376.36
-1.7
6
10
166.14
4
(5R,9R,10R,13S,14S,17S)-17-[(2R,3S,5R)-5-[(2R)-3,3-dimethyloxiran-2-yl]-2-hydroxyoxolan-3-yl]-4,4,10,13,14-pentamethyl-1,2,5,6,9,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
470.70
5.7
1
4
59.06
2
(1S,2R,4aR,6aR,6aS,6bR,8aR,10R,12aR,14bS)-10-hydroxy-2,4a,6a,6b,9,9,12a-heptamethyl-2,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydro-1H-picene-1-carboxylic acid
456.70
7.7
2
3
57.53
1
(2R,3R,4S,5S,6R)-2-[[(3R,8S,9S,10R,13R,14S,17R)-17-[(2R,5R)-5-ethyl-6-methylheptan-2-yl]-10,13-dimethyl-2,3,4,7,8,9,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
576.80
7.7
4
6
99.38
9
[(1R,2S,4R,6R,7R,10S,11S,14S,16R)-7,11-dimethyl-6-[(1R,6R)-3-oxo-2,7-dioxabicyclo[4.1.0]hept-4-en-6-yl]-3-oxapentacyclo[8.8.0.02,4.02,7.011,16]octadecan-14-yl] formate
428.50
4.1
0
6
77.66
3
methyl (1R,9S,10S,12S,13E,16S,17R,18S)-13-ethylidene-18-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-triene-17-carboxylate
366.50
2.1
1
5
53.01
2
methyl (1R,2S,3R,6R,8S,13S,14R,15R,16S,17S)-15,16-dihydroxy-3-[(E)-4-hydroxy-3,4-dimethylpent-2-enoyl]oxy-9,13-dimethyl-4,11-dioxo-10-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
726.70
-1.6
7
17
265.27
9
3-Methyl-6-(6-methylhept-5-en-2-yl)cyclohex-2-enol
222.37
4.1
1
1
20.23
4
[(3S,5R,8S,9R,10S,13R,14S,16S,17R)-14-hydroxy-3-[(2R,4S,5S,6S)-5-hydroxy-4-methoxy-6-methyloxan-2-yl]oxy-10,13-dimethyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-16-yl] acetate
576.70
2.4
2
9
120.75
6
2-Methylthioribosyl-trans-zeatin
397.50
0.7
5
10
171.08
7
CID 154735200
856.10
3.6
4
13
163.63
9
Oct-3-en-2-one
126.20
2.3
0
1
17.07
4
[(1R,3R,5S,7S,8S,9R,10S,11S,12S,13R,14S,17R)-7,8-diacetyloxy-9-benzoyloxy-14-hydroxy-6,6,10,17-tetramethyl-2,16,18-trioxapentacyclo[9.7.0.01,3.05,10.013,17]octadecan-12-yl] benzoate
678.70
4.5
1
12
156.42
10
[(3R,4aR,6S,6aS,6bS,8aS,11R,12aR,14bS)-11-(benzoyloxymethyl)-6-hydroxy-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,6,7,8,9,10,12,12a,13,14-tetradecahydropicen-3-yl] 4-aminobenzoate
681.90
9.8
2
6
98.85
7
[(3R,4aR,6aS,6bS,8aS,11R,12aR,14bS)-11-(benzoyloxymethyl)-4,4,6a,6b,8a,11,14b-heptamethyl-1,2,3,4a,5,7,8,9,10,12,12a,13-dodecahydropicen-3-yl] 4-aminobenzoate
663.90
10.8
1
5
78.62
7
[(1R,2R,5R,6R)-2,5,6-trihydroxy-5-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methylcyclohexyl] acetate
330.40
1.3
4
6
107.22
6
Digoxigenin
390.50
1.1
3
5
86.99
1
(9S,11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-2,3,8,9-tetrahydro-1H-naphtho[2,1-f][1]benzofuran-6-one
328.40
4.9
2
4
66.76
0
(11bS)-7,11-dihydroxy-4,4,9,11b-tetramethyl-1H-naphtho[2,1-f][1]benzofuran-6-one
324.40
4.8
2
4
70.67
0
(1R,4R,9R,10S,13R,15R)-5,5,9-trimethyl-14-methylidenetetracyclo[11.2.1.01,10.04,9]hexadecan-15-ol
288.50
5.4
1
1
20.23
0
3beta-Hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-7-one
440.70
8.1
1
2
37.3
5
3beta-Hydroxy-4alpha,14alpha-dimethyl-5alpha-ergosta-8,24(28)-dien-7,11-dione
454.70
7.2
1
3
54.37
5
Glabrin C
813.00
3.7
8
9
244.24
8
Glabrin D
739.80
0.4
6
10
234.86
6
1-methyl-2-oxo-7-prop-1-en-2-yl-5,6,7,8-tetrahydro-3H-azulene-4-carbaldehyde
230.30
2
0
2
34.14
2
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