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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
(1S,3R,5S,7S)-5-benzoyl-3-[(2E)-3,7-dimethylocta-2,6-dienyl]-8-(3,3-dimethyloxiran-2-yl)-6,6-dimethyl-1-(3-methylbut-2-enyl)adamantane-2,4,9-trione
584.80
8.7
0
5
80.81
10
(2I+/-,3I(2),25S)-2-Hydroxyspirost-5-en-3-yl O-6-deoxy-I+/--L-mannopyranosyl-(1a2)-O-[6-deoxy-I+/--L-mannopyranosyl-(1a4)]-I(2)-D-glucopyranoside
885.00
0.4
9
17
255.91
7
I(2)-D-Glucopyranoside, (3I(2),5I(2),6I+/-,25S)-6-hydroxyspirostan-3-yl 4-O-(6-deoxy-I+/--L-mannopyranosyl)-
740.90
1.9
7
13
196.99
5
7,11,13,16,18,22-Hexahydroxy-24-methyl-9,20-dioxoheptacyclo[13.11.1.12,10.03,8.019,27.021,26.014,28]octacosa-1,3(8),4,6,10,12,14(28),15(27),16,18,21(26),22,24-tridecaene-5-carboxylic acid
536.40
5.6
7
10
192.82
1
Momordicine II
634.80
3.7
6
9
156.91
8
CID 10102
204.35
5.8
0
0
0
0
H-gGlu-Cys-gGlu-Cys-gGlu-Cys-Gln-OH
842.90
-7.5
15
19
509.31
28
H-gGlu-Cys-gGlu-Cys-gGlu-Cys-gGlu-Cys-Gln-OH
1075.20
-8.5
19
24
643.61
36
(7R)-2-[(2S,3R,4R)-3,4-dihydroxyoxolan-2-yl]-4,7-dihydroxy-5-[(E)-3-(4-hydroxyphenyl)prop-2-enoyl]-7-[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-1H-indol-6-one
575.50
-2.5
10
13
250.46
6
Bryostatin 6
853.00
2.4
4
17
240.11
11
(4R,4aS,8aS)-3,4a,8,8-tetramethylspiro[5,6,7,8a-tetrahydronaphthalene-4,5'-oxolane]-1,2'-dione
276.40
2.9
0
3
43.37
0
(4aS,6aR,6aS,6bR,8aR,10S,12aR,14bS)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-4-[(2S,3R,4S,5R,6R)-3,5-dihydroxy-6-(hydroxymethyl)-4-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-4,5-dihydroxyoxan-2-yl]oxy-6a,6b,9,9,12a-pentamethyl-2-methylidene-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14b-tetradecahydropicene-4a-carboxylic acid
1027.20
0.9
11
20
313.44
10
(5S,6R)-10,12-dihydroxy-5-methyl-6-(3-oxobut-1-en-2-yl)-11-propan-2-yl-2-oxatricyclo[7.3.1.05,13]trideca-1(12),9(13),10-triene-3,8-dione
358.40
2.8
2
6
100.9
3
3-[(2S,3R,4S,5R,6S)-5-[(2S,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxy-3,4-dihydroxy-6-methyloxan-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
710.60
-1.3
10
18
287.89
8
3-[(2S,3R,4S,5R,6S)-3,4-dihydroxy-6-methyl-5-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-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
710.60
-1.6
10
18
287.89
7
(1S,4R,5aS,5bR,7aR,9S,11aR,11bR)-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysene-4,9-diol
426.70
6.1
2
2
40.46
1
[(1S,4R,5aS,5bR,7aR,9S,11aR,11bR)-4-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-2,3,4,5,6,7,7a,9,10,11,11b,12-dodecahydro-1H-cyclopenta[a]chrysen-9-yl] acetate
468.70
6.7
1
3
46.53
3
(1S,5aS,5bR,7aR,9S,11aR,11bR)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-1-propan-2-yl-1,2,3,5,6,7,7a,9,10,11,11b,12-dodecahydrocyclopenta[a]chrysen-4-one
424.70
6.5
1
2
37.3
1
[(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,12-diacetyloxy-15-[(2R,3S)-3-[benzoyl(methyl)amino]-2-hydroxy-3-phenylpropanoyl]oxy-1,9-dihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
867.90
2.7
3
14
212.5
14
(1S,4R,9R,10R,13R,14R)-14-(chloromethyl)-5,5,9-trimethyltetracyclo[11.2.1.01,10.04,9]hexadecan-14-ol
324.90
6.2
1
1
20.23
1
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-11-ethyl-8,16-dihydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-4-yl] acetate
479.60
0.5
2
8
97.69
7
[(1S,2R,3R,4S,5R,6S,8R,9R,10R,13S,16S,17R,18R)-4-acetyloxy-11-ethyl-8-hydroxy-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecan-16-yl] acetate
521.60
1.1
1
9
103.76
9
(1S,2R,3R,4S,5S,6S,8R,9R,10R,13S,16S,17R,18S)-11-ethyl-6,18-dimethoxy-13-(methoxymethyl)-11-azahexacyclo[7.7.2.12,5.01,10.03,8.013,17]nonadecane-4,8,16-triol
437.60
-0.1
3
7
91.62
5
(6aS,9R)-10-[(2S,3R,4S,5S)-3-[(2S,3R,4R,5S,6S)-3,5-dihydroxy-6-methyl-4-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxyoxan-2-yl]oxy-4,5-dihydroxyoxan-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-carboxylic acid
883.10
2.1
9
16
254.52
8
(2S,3S,4S,5R,6S)-6-(4-carboxy-2,6-dihydroxyphenoxy)-3,4,5-trihydroxyoxane-2-carboxylic acid
346.24
-1.2
7
11
194.21
4
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