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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
(2R,3S,4R,5S)-2-[(1R,2S,3'S,4S,5'S,6S,7S,8R,9S,12S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icosane-6,2'-oxane]-3'-yl]oxyoxane-3,4,5-triol
859.00
0.3
9
17
255.91
7
(2R,3R,4S,5S,6R)-2-[(2S)-4-[(1R,2S,4S,8S,9S,12S,13S,16S,18R)-16-[(2R,3R,4R,5S,6R)-3,4-dihydroxy-6-(hydroxymethyl)-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-7,9,13-trimethyl-5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-6-en-6-yl]-2-methylbutoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
873.00
0.4
10
17
266.91
12
2-Hydroxy-3-(beta-D-xylopyranosyloxy)benzoic acid
286.23
-0.4
5
8
136.68
3
(1R,3S,6S)-6-[(1E,3Z,5E,7E,9E,11E,13E,15E,17E)-18-[(1R,4R)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-3,7,12,16-tetramethyloctadeca-1,3,5,7,9,11,13,15,17-nonaenyl]-1,5,5-trimethyl-7-oxabicyclo[4.1.0]heptan-3-ol
584.90
10.4
2
3
52.99
10
[(3S,4R,5S)-5-[(2S,3R,4S,5R)-2-[2-(3,4-dihydroxyphenyl)-7-hydroxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromenylium-3-yl]oxy-4,5-dihydroxyoxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 3-(4-hydroxyphenyl)prop-2-enoate
859.80
12
20
335.74
13
3-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-6-[[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-7-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
902.80
-3.8
14
24
387.27
11
[(1R,2S,4S,5S,9R,10S,13R)-2-acetyloxy-5,9-dimethyl-14-methylidene-5-tetracyclo[11.2.1.01,10.04,9]hexadecanyl]methyl hexadecanoate
584.90
12.4
0
4
52.6
19
Neochrome
600.90
8.4
3
4
69.92
8
(1R,8S,8aS)-3,6-dimethyl-1-propan-2-yl-4,7,8,8a-tetrahydro-2H-azulene-1,8-diol
236.35
1.6
2
2
40.46
1
(3aS,5aR,9bS)-5a,9-dimethyl-3a,4,5,7,8,9b-hexahydro-3H-benzo[g][1]benzofuran-2,6-dione
234.29
0.8
0
3
43.37
0
[(1R,4S,6S,8S,9S,13R,14S,16R)-6-(furan-3-yl)-16-methylspiro[3,5-dioxatetracyclo[6.5.3.01,9.04,8]hexadecane-13,2'-oxirane]-14-yl] acetate
388.50
2.5
0
6
70.43
3
(1S,2R,4R,6S,11R,12S,15R,18S,19R,20R,21S,23R,26R)-15-hydroxy-11,18,21-trimethyl-5,17,24,28,29-pentaoxanonacyclo[17.9.1.11,20.02,12.04,6.06,11.015,19.018,23.021,26]triacont-8-ene-10,16,25,30-tetrone
526.50
0.1
1
10
137.96
0
(6S,8R,11R,12S,15S,16R)-15-[(1S)-1-aminoethyl]-N,7,7,12,16-pentamethyltetracyclo[9.7.0.03,8.012,16]octadeca-1(18),2-dien-6-amine
370.60
4.9
2
2
38.05
2
CID 101528285
418.40
0.9
1
8
115.57
4
(1S,3S,6R,7S,8S,11R,12S,15R,16S,19S,21R)-7-(hydroxymethyl)-3,7,11,16,20,20-hexamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-1,8,19-triol
476.70
6.2
4
4
80.92
1
(1S,3S,6R,8S,11R,12S,15R,16S,19S,21R)-3,7,7,11,16,20,20-heptamethylpentacyclo[13.8.0.03,12.06,11.016,21]tricosane-1,8,19-triol
460.70
6.9
3
3
60.69
0
(5E,9E,13E,17E,21E,25E,29E)-2,6,10,14,18,22,26,30,34-nonamethylpentatriaconta-1,5,9,13,17,21,25,29,33-nonaene
601.00
16.9
0
0
0
24
(E)-4-(2,3-dimethoxy-7,9,10,11,11a,12-hexahydronaphtho[2,1-f]indolizin-6-yl)but-3-en-2-ol
353.50
3.7
1
4
41.93
4
[(2E)-2-[(1S,6E,10S)-6,10-dimethyl-4-oxo-11-oxabicyclo[8.1.0]undec-6-en-3-ylidene]propyl] acetate
292.40
2.1
0
4
55.9
3
2-[(1R,4Z,8S)-4,8-dimethyl-2,9-dioxocyclodec-4-en-1-yl]propyl acetate
294.40
2
0
4
60.44
4
(3R,3aR,5aR,5bR,7aS,11aS,13aS,13bR)-3a,5a,8,8,11a,13a-hexamethyl-3-propan-2-yl-2,3,4,5,5b,6,7,7a,9,10,11,13b-dodecahydro-1H-cyclopenta[a]chrysen-13-one
424.70
9.4
0
1
17.07
1
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (4aS,6aR,6aS,6bR,8aR,9R,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-9-(hydroxymethyl)-2,2,6a,6b,9,12a-hexamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylate
913.10
1.8
10
17
274.75
9
(2R,3S,4S,5R,6R)-2-(hydroxymethyl)-6-[[(1S,17S,18S,19S)-18-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,7-dioxa-12-azapentacyclo[10.6.1.02,10.04,8.015,19]nonadeca-2,4(8),9,15-tetraen-17-yl]oxy]oxane-3,4,5-triol
611.60
-3.2
8
15
220.46
6
(4aS,10aR)-6-hydroxy-7-(1-hydroxypropan-2-yl)-1,1,4a-trimethyl-3,4,10,10a-tetrahydrophenanthrene-2,9-dione
330.40
2.6
2
4
74.6
2
(2S,4aS,10aR)-2,6-dihydroxy-1,1,4a-trimethyl-7-propan-2-yl-3,4,10,10a-tetrahydro-2H-phenanthren-9-one
316.40
4.1
2
3
57.53
1
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