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SCFBio, IIT Delhi Hauz Khas, New Delhi

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
3,8-Dihydroxy-1-methylanthraquinone-2-carboxylic acid
298.25
3.2
3
6
111.9
1
Marmelo oxide B
152.23
2.9
0
1
9.23
2
Marmelo oxide A
152.23
2.9
0
1
9.23
2
2,3,12,15,16-Pentahydroxy-17-(hydroxymethyl)-9,13-dimethyl-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-4,11-dione
426.40
-2.9
6
10
173.98
1
bruceineE
412.40
-2.8
6
9
156.91
0
4-(2,5,5,8a-Tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl)butan-2-one
262.40
4.6
0
1
17.07
3
2-(4,7-Dimethyl-1,2,3,4,4a,5,6,8a-octahydronaphthalen-1-yl)propan-1-ol
222.37
3.9
1
1
20.23
2
Hallacridone
307.30
3.7
1
5
72.44
1
(2E,6E,10E,14E,18E,22E,26E,30E,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-Dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-OL
835.40
21.5
1
1
20.23
34
(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30Z,34E,38E,42E)-3,7,11,15,19,23,27,31,35,39,43,47-dodecamethyloctatetraconta-2,6,10,14,18,22,26,30,34,38,42,46-dodecaen-1-ol
835.40
21.5
1
1
20.23
34
(2Z,6Z,10Z,14Z,18Z,22E,27R,31R)-3,7,11,15,19,23,27,31,35-nonamethylhexatriaconta-2,6,10,14,18,22-hexaen-1-ol
637.10
17.5
1
1
20.23
28
Glycinoprenol 10
705.20
19.3
1
1
20.23
31
(2Z,6Z,10Z,14Z,18Z,22Z,26Z,30E,35R,39R)-3,7,11,15,19,23,27,31,35,39,43-undecamethyltetratetraconta-2,6,10,14,18,22,26,30-octaen-1-ol
773.30
21.2
1
1
20.23
34
3-Methylsulfanyl-4,5-dihydrobenzo[e][2]benzothiole
232.40
4.4
0
2
53.54
1
(2S)-7,8-dihydroxy-2-(4-hydroxyphenyl)-2,3-dihydrochromen-4-one
272.25
1.8
3
5
86.99
1
1-Ethoxyethylbenzene;methanamine
181.27
1
2
35.25
3
2-Propenoic acid, 3-(4-hydroxyphenyl)-, 2-phenylethyl ester, (2E)-
268.31
4.2
1
3
46.53
6
methyl (E)-icos-2-enoate
324.50
9.5
0
2
26.3
18
[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-3-hydroxy-N-sulfooxyhex-5-enimidothioate
403.40
-1.4
6
12
220.02
9
But-3-enylglucosinolate
373.40
-0.8
5
11
199.79
8
[3,4,5-Trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxyhex-5-enimidothioate
387.40
-0.4
5
11
199.79
9
2,5,5,8a-tetramethyl-1-[(1E,3E)-3-methylpenta-1,3-dienyl]-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
290.50
6.2
1
1
20.23
2
(1S,4R,7S,10S,13S,16S)-24-hydroxy-7-(hydroxymethyl)-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
772.80
2.5
5
10
207.15
4
(1S,4R,7S,10R,13S,16S)-7-(hydroxymethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
786.90
2.8
4
10
196.15
5
(1S,4R,7S,10S,13S,16S)-7-(hydroxymethyl)-24-methoxy-10-[(4-methoxyphenyl)methyl]-4,9,13,15,29-pentamethyl-22-oxa-3,6,9,12,15,29-hexazatetracyclo[14.12.2.218,21.123,27]tritriaconta-18,20,23,25,27(31),32-hexaene-2,5,8,11,14,30-hexone
786.90
2.8
4
10
196.15
5
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