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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
Cathasterone
432.70
6.6
2
3
57.53
5
(1R,2R,10R,11S,14R,15R,16S)-16-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,14,16-trimethyl-17-oxapentacyclo[13.2.2.01,14.02,11.05,10]nonadeca-4,6-dien-9-one
436.60
4.4
0
4
52.6
1
Igwhgimymcusqi-uhfffaoysa-
480.50
3.9
3
6
113.12
7
2-Azaniumyl-3-hydroxybutanoate
119.12
-2.3
2
3
88
1
(2S)-3-methyl-2-[[(2S)-2-(3-methylbut-2-enylamino)-3-phenylpropanoyl]amino]-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]butanamide
470.70
5.3
3
5
111.36
12
(2S)-3-methyl-N-[(1S)-2-methyl-1-(1,3-thiazol-2-yl)propyl]-2-[[(E)-3-phenylprop-2-enoyl]amino]butanamide
385.50
4.3
2
4
99.33
8
(1R,5R,6R,9R,10R,13S,14R,16R)-13-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-6-(2-hydroxypropan-2-yl)-5,9,10-trimethyl-2-oxatetracyclo[7.6.1.05,16.010,14]hexadecan-3-one
474.70
5
2
5
83.83
5
(5R,8R,9R,10S,11R,13R,14R,17S)-11-hydroxy-17-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-4,4,8,10,14-pentamethyl-1,2,5,6,7,9,11,12,13,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
472.70
5.7
2
4
74.6
4
(3aS,3bR,4R,5aR,6S,8aR,8bR,10aR)-4-hydroxy-6-[(2R)-2-hydroxy-6-methyl-4-oxohept-5-en-2-yl]-1,1,3a,8a,8b-pentamethyl-3b,4,5,5a,6,7,8,9,10,10a-decahydro-3H-indeno[5,4-e]inden-2-one
458.70
5.3
2
4
74.6
4
Acacetin-7-glucuronide
460.40
1.4
5
11
176.12
5
5,8-Dihydroxy-6,7-dimethoxyflavone
314.29
3
2
6
89.13
3
Lupenylpalmitat
663.10
16.8
0
2
26.3
17
(3S,4R,4aS,6aS,6aS,6bR,8aR,12aR,14bR)-4,4a,6a,6b,8a,11,11-heptamethyl-2,3,4,5,6,6a,7,8,9,10,12,12a,13,14b-tetradecahydro-1H-picen-3-ol
412.70
8.6
1
1
20.23
0
Tamaridone
330.29
2.6
3
7
109.36
3
(1S,2S)-2-[2-[(2S,3aR,7bS,11aS,11bR)-6-hydroxy-7b,11,11-trimethyl-5-propan-2-yl-3a,8,9,10,11a,11b-hexahydrophenanthro[9,10-d][1,3]dioxol-2-yl]-5-hydroxy-4-propan-2-ylphenyl]-2,6,6-trimethylcyclohexane-1-carbaldehyde
616.90
10.3
2
5
75.99
5
(6R,7R)-15-hydroxy-7-(4-hydroxy-3,5-dimethoxyphenyl)-6-(hydroxymethyl)-2,19,19-trimethyl-5,8,18-trioxa-2-azapentacyclo[12.8.0.03,12.04,9.017,22]docosa-1(14),3(12),4(9),10,15,17(22),20-heptaen-13-one
547.60
4.4
3
10
128.84
4
(S)-2-Amino-4-ethylidene-pentanedioic acid
173.17
-2.7
3
5
100.62
4
5-hydroxy-3-methyl-5-[(2R)-2-[(5R,10S,13R,14R,17R)-4,4,10,13,14-pentamethyl-3-oxo-1,2,5,6,7,11,12,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl]propyl]furan-2-one
468.70
6.1
1
4
63.6
3
2-[(1R)-2,2,4-Trimethylcyclopent-3-en-1-yl]ethan-1-ol
154.25
2.1
1
1
20.23
2
(3S,4aS,6aR,6bS,8aS,12aS,14aS,14bR)-3-hydroxy-8a-(hydroxymethyl)-4,4,6a,6b,11,11,14b-heptamethyl-3,4a,5,6,7,8,9,10,12,12a,14,14a-dodecahydro-2H-picen-1-one
456.70
6.3
2
3
57.53
1
11-Oxoerythrodiol
456.70
6.5
2
3
57.53
1
Dimethyl methylsuccinate
160.17
0.4
0
4
52.6
5
4H-Pyran-4-one, 2,3-dihydro-2,5-dihydroxy-6-methyl-
144.12
-0.3
2
4
66.76
0
Mercaptomethyl acetate
106.15
0.5
1
3
65.1
2
Moringin
311.36
1.9
3
7
123.6
4
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