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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
(4-Hydroxy-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl) acetate
307.40
2.5
1
4
49.77
2
[(1R,2R,10S,11R,13S,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecan-11-yl] acetate
291.40
3.4
0
3
29.54
2
15-Methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol
265.39
1.7
2
3
43.7
0
(1R,2R,10S,11S,12S,13R,15R)-15-methyl-6-azatetracyclo[8.6.0.01,6.02,13]hexadecane-11,12-diol
265.39
1.7
2
3
43.7
0
(5R,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-5,5,6-trimethylhept-6-en-2-yl]-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
452.80
10.1
0
1
17.07
5
(5R,8S,10S,13R,14S,17R)-4,4,10,13,14-pentamethyl-17-[(2R)-5,5,6-trimethylheptan-2-yl]-1,2,5,6,7,8,12,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
454.80
10
0
1
17.07
5
(1R,2S,3S,7S,8R,9S,12S,13R,14R,15R,16R)-3,8,14,15-tetrahydroxy-2,6,13,16-tetramethyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadec-5-ene-4,11-dione
366.40
-0.6
4
7
124.29
0
Pasakbumin D
442.40
-3.7
7
11
194.21
1
(3S,3aR,4R,6aR,8S,9S,9aR,9bR)-4,8-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
266.33
1.2
2
4
66.76
0
(3R,3aR,4R,6aR,8S,9R,9aR,9bR)-4,8-dihydroxy-3,9-dimethyl-6-methylidene-3,3a,4,5,6a,7,8,9,9a,9b-decahydroazuleno[4,5-b]furan-2-one
266.33
1.2
2
4
66.76
0
Isolipidiol
266.33
1.2
2
4
66.76
0
(+)-Erysotramidine
327.40
1.5
0
4
48
3
Butanoic acid, 2-amino-4-(ethylseleno)-
210.14
2
3
63.32
5
Delcosin
453.60
-1.1
4
8
111.85
5
(3R,6S,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(2R)-6-methylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
426.70
9.8
1
1
20.23
4
(2S,3S,4S,5R,6S)-6-[(2S,3R,4S,5S,6S)-6-carboxy-3,4,5-trihydroxyoxan-2-yl]oxy-3,4,5-trihydroxy-6-[5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxane-2-carboxylic acid
622.50
-1.3
10
17
294.34
6
gamma-Campholenal
154.25
2.3
1
1
20.23
2
Eckol
372.30
2.5
6
9
149.07
2
(2R,3R,4R,5S,6S)-6-[(2S,3S,4R,5R,6R)-2-[[(3S,4aR,6aR,6bS,8aR,9R,11R,12aR,14aR,14bS)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-6-carboxy-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
881.00
3
8
18
293.34
9
(2S,3S,4S,5R,6R)-6-[(2R,3R,4S,5S,6S)-6-carboxy-2-[[(1R,2S,5R,6S,9S,11R,14R,15S,19R,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.3.1.02,19.05,18.06,15.09,14]pentacos-17-en-11-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
834.90
3.5
7
16
256.04
6
(2S,3S,4S,5R,6R)-6-[[(3R,4aS,6aS,6bR,8aS,9S,11S,12aS,14aS,14bR)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-3,4-dihydroxy-5-[(2S,3R,4S,5R,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxane-2-carboxylic acid
867.00
2.7
8
17
276.27
9
(2R,3R,4R,5S,6S)-5-[(2R,3R,4S,5S,6S)-6-carboxy-4,5-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-6-[[(1R,2S,5R,6S,9S,11R,14R,15S,19R,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.3.1.02,19.05,18.06,15.09,14]pentacos-17-en-11-yl]oxy]-3,4-dihydroxyoxane-2-carboxylic acid
981.10
2.4
9
20
314.96
8
(2S,3S,4S,5R,6R)-6-[[(3R,4aS,6aS,6bR,8aS,9S,11S,12aS,14aS,14bR)-9-acetyloxy-11-carboxy-4,4,6a,6b,8a,11,14b-heptamethyl-14-oxo-2,3,4a,5,6,7,8,9,10,12,12a,14a-dodecahydro-1H-picen-3-yl]oxy]-5-[(2S,3S,4R,5R,6R)-6-carboxy-4,5-dihydroxy-3-[(2R,3S,4S,5S,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxyoxan-2-yl]oxy-3,4-dihydroxyoxane-2-carboxylic acid
1027.10
1.9
10
22
352.26
11
(2S,3R,4S,5R,6R)-6-[(2S,3S,4R,5R,6R)-6-carboxy-2-[[(1R,2S,5R,6S,9S,11R,14R,15S,19R,21R)-2,5,6,10,10,14,21-heptamethyl-16,22-dioxo-23-oxahexacyclo[19.3.1.02,19.05,18.06,15.09,14]pentacos-17-en-11-yl]oxy]-4,5-dihydroxyoxan-3-yl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
834.90
3.5
7
16
256.04
6
[(2R,3S,4R,5S,6S)-2-[[(3R,5S,8S,9R,10S,13S,14R,17S)-10-formyl-14-hydroxy-13-methyl-17-(5-oxo-2H-furan-3-yl)-1,2,3,4,5,6,7,8,9,11,12,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl]oxy]-4-methoxy-6-methyl-5-[(2R,3S,4R,5R,6S)-3,4,5-trihydroxy-6-[[(2R,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]oxan-2-yl]oxyoxan-3-yl] acetate
915.00
-2.4
8
20
296.12
13
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