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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
(4aS,5S,6aR,6aR,8aR,12aS,14aR,14bR)-4,4,6a,8a,11,11,14b-heptamethyl-2,3,4a,5,6,6a,8,9,10,12,12a,13,14,14a-tetradecahydro-1H-picen-5-ol
412.70
8.9
1
1
20.23
0
[(9R,10R)-9-hydroxy-3,4,5,19-tetramethoxy-9,10-dimethyl-15,17-dioxatetracyclo[10.7.0.02,7.014,18]nonadeca-1(19),2,4,6,12,14(18)-hexaen-8-yl] benzoate
536.60
5
1
9
101.91
7
(1R,2R,3S)-3-(3,5-dihydroxyphenyl)-2-(4-hydroxyphenyl)-1-[(R)-(4-hydroxyphenyl)-methoxymethyl]-2,3-dihydro-1H-indene-4,6-diol
486.50
4.5
6
7
130.61
5
(2aR,3R,5R,5aR,6aS,6bR,10aR,11R,12aS,12bS,12cS)-5a,10a,11-trihydroxy-3-(hydroxymethyl)-3',4',6b,12c-tetramethylspiro[2,2a,3,6,6a,10,11,12,12a,12b-decahydro-1H-benzo[j]aceanthrylene-5,5'-furan]-2',4,7-trione
500.60
1.3
4
8
141.36
1
methyl (1R,15R,18R)-16-[(1S,4S)-4-acetyl-1,3-dimethylcyclopent-2-en-1-yl]-17-ethyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8,16-pentaene-1-carboxylate
472.60
3.5
1
4
62.4
5
Indirubin
262.26
2.7
2
3
65.45
1
Zymostenol
386.70
8
1
1
20.23
5
1,2-Dibutyrin
232.27
1
1
5
72.83
10
(2S,3R,4S,5S,6R)-2-[4-[[4-[hydroxy-[3-methoxy-4-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]methyl]oxolan-3-yl]methyl]-2-methoxyphenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol
684.70
-1.2
9
16
246.68
12
4-O-feruloyl-D-quinic acid
368.30
-0.1
5
9
153.75
6
[(1R)-3,5,5-trimethyl-4-[(1E,3E,5E,7E,9E,11E,13E,15E,17E)-3,7,12,16-tetramethyl-18-[(4R)-2,6,6-trimethyl-4-tetradecanoyloxycyclohexen-1-yl]octadeca-1,3,5,7,9,11,13,15,17-nonaenyl]cyclohex-3-en-1-yl] tetradecanoate
989.60
24.5
0
4
52.6
38
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
602.90
12.1
1
4
55.76
6
[(1R,3aR,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-3a,5a,5b,8,8,11a-hexamethyl-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl] (Z)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
602.90
12.1
1
4
55.76
6
N-[2-[(1R,2R)-3-Oxo-2-(2Z)-2-penten-1-ylcyclopentyl]acetyl]-L-tyrosine
373.40
2.6
3
5
103.7
9
(1S,3R,6R,8R,11S,12S,15R,16R)-7,7,12,16-tetramethyl-15-[(E,2R)-5-propan-2-ylhept-5-en-2-yl]pentacyclo[9.7.0.01,3.03,8.012,16]octadecan-6-ol
454.80
10.5
1
1
20.23
5
methyl (1R,4S,5R,9S,10R,12S,13R)-13-(hydroxymethyl)-5,9-dimethyltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylate
334.50
5.2
1
3
46.53
3
(1R,4S,5R,9S,10R,12S,13S)-13-(hydroxymethyl)-5,9-dimethyltetracyclo[10.2.2.01,10.04,9]hexadecane-5-carboxylic acid
320.50
4.8
2
3
57.53
2
(4aS,6aR,6aS,6bR,8R,8aR,9R,10R,11R,12aR,14bR)-8,10,11-trihydroxy-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
504.70
4.5
5
6
118.22
2
Kaempferol 3-gluco-xyloside
580.50
-0.8
9
15
249.2
7
[(2R,3R,4S,5S,6S)-4,5-diacetyloxy-2-methyl-6-[[(2R,3R,4S,5R,6S)-3,4,5-triacetyloxy-6-[3-(4-acetyloxyphenyl)-5-hydroxy-4-oxochromen-7-yl]oxyoxan-2-yl]methoxy]oxan-3-yl] acetate
872.80
2.8
1
21
271.46
20
cyclo[Gly-Ile-Tyr-Leu-Pro-Met-Pro-Gly-Met]
960.20
2.7
8
12
315.15
12
4-[Hydroxy-(4-hydroxy-3-methoxyphenyl)methyl]-3-[(4-hydroxy-3-methoxyphenyl)methyl]oxolan-2-one
374.40
2.1
3
7
105.45
6
(+/-)-trans-3-(4-Hydroxy-3-methoxyphenyl)-4-[(e)-3,4-dimethoxystyryl]cyclohex-1-ene
366.40
5.3
1
4
47.92
6
[4,5-Dimethoxy-2-(1-methyl-2,3-dihydroindol-7-yl)phenyl]methanol
299.40
2.8
1
4
41.93
4
CID 101774198
336.50
3.1
1
4
55.76
0
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