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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,4S,9S,10R,13R)-5,5,9,14-tetramethyltetracyclo[11.2.1.01,10.04,9]hexadec-14-ene
272.50
6.9
0
0
0
0
(1S,11S,13S,15R,18R)-15-methoxy-5,7-dioxa-12-azapentacyclo[10.5.2.01,13.02,10.04,8]nonadeca-2,4(8),9,16-tetraene-11,18-diol
317.34
0.7
2
6
71.39
1
(1R,3'R,4R,6R,7R,11E)-7-hydroxy-3',6,7,14-tetramethylspiro[2,9-dioxa-14-azabicyclo[9.5.1]heptadec-11-ene-4,2'-oxirane]-3,8,17-trione
381.40
0.6
1
8
105.67
0
(2S,6S,7aR)-2-[(2Z,4E,6E,8E,10E,12E,14E,16E)-17-[(1R,4S)-4-hydroxy-2,6,6-trimethylcyclohex-2-en-1-yl]-6,11,15-trimethylheptadeca-2,4,6,8,10,12,14,16-octaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
584.90
10.1
2
3
49.69
9
Methanesulfinothioic acid, S-1-propenyl ester
136.20
0.6
0
3
61.58
2
Dicentrine
339.40
3.2
0
5
40.16
2
Corydaline
369.50
3.6
0
5
40.16
4
(4S,5S,6S)-4-methoxy-6-methyloxane-2,5-diol
162.18
-0.6
2
4
58.92
1
Fonsecinone B
588.60
5.4
3
11
154.12
5
N-[(3s)-2-Oxotetrahydrofuran-3-Yl]butanamide
171.19
0.5
1
3
55.4
3
11-[(2S,3S,4S,5S,6R)-4-[(2R,3S,4R,5S,6S)-4-[(2S,3S,4S,5S,6R)-3,4-dihydroxy-5-[(2R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxy-6-[[(2R,4R,5R,6R)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxy-3,5-dihydroxy-6-methyloxan-2-yl]oxyhexadecanoic acid
1019.10
-1.3
13
24
372.36
25
Gentioside (xanthone)
552.50
-1.1
7
14
217.97
6
1-Methoxy-2,3,6,7-bismethylendioxyxanthon
314.25
2.6
0
7
76.36
1
1,6,8-Trihydroxy-2,5-dimethoxyxanthen-9-one
304.25
2.4
3
7
109.36
2
1,6,8-Trihydroxy-2,3-dimethoxyxanthen-9-one
304.25
2.4
3
7
109.36
2
8-Hydroxy-1,2,3,6-tetramethoxyxanthen-9-one
332.30
3
1
7
87.36
4
(E)-4-[(1S,2S,17S,19R)-12-hydroxy-8,8,21,21-tetramethyl-5-(3-methylbut-2-enyl)-14,18-dioxo-3,7,20-trioxahexacyclo[15.4.1.02,15.02,19.04,13.06,11]docosa-4(13),5,9,11-tetraen-19-yl]-2-methylbut-2-enal
546.60
5.4
1
7
99.13
5
Acetoxyverruculogen
569.60
1.4
2
9
140
4
(7bR,10aR)-2,3,4,7b,8,9,10,10a-Octahydro-1H-cyclopenta[b][1,4]diazepino[6,7,1-hi]indole
214.31
1.9
1
2
15.27
0
2-[(2Z,4E,6E,8E,10E,12E,14Z)-15-(6-hydroxy-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-2-yl)-6,11-dimethylhexadeca-2,4,6,8,10,12,14-heptaen-2-yl]-4,4,7a-trimethyl-2,5,6,7-tetrahydro-1-benzofuran-6-ol
600.90
9
2
4
58.92
8
(-)-alpha-Acorenol
222.37
3.6
1
1
20.23
1
[(1S,2S,6S,9S,10S,11R,12R,13S,14S,15S,16R,18S,19S,22S,23S,25R)-16-acetyloxy-10,12,14,23-tetrahydroxy-6,10,19-trimethyl-22-[(Z)-2-methylbut-2-enoyl]oxy-24-oxa-4-azaheptacyclo[12.12.0.02,11.04,9.015,25.018,23.019,25]hexacosan-13-yl] (2R)-2-methylbutanoate
717.90
3.3
4
12
172.29
9
Rhodojaponin III 9,11-diacetate
452.50
0.8
3
8
125.82
4
Grayanotoxane-5,6,10,14,16-pentol, 2,3-epoxy-, 6-acetate, (2beta,3beta,6beta,14R)-(9CI)
410.50
0.3
4
7
119.75
2
(E)-5-[(1S,4aR,5S)-5-(hydroxymethyl)-5,8a-dimethyl-2-methylidene-3,4,4a,6,7,8-hexahydro-1H-naphthalen-1-yl]-3-methylpent-2-enoic acid
320.50
4.9
2
3
57.53
5
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