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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
2-Methylnorbornane
110.20
3.2
0
0
0
0
(3S)-5-(4,5-dimethoxy-2-methylnaphthalen-1-yl)-8-methoxy-1,3-dimethyl-3,4-dihydroisoquinolin-6-ol
405.50
4.8
1
5
60.28
4
1-(4-Hydroxyphenyl)-6-methoxyisoquinolin-7-ol
267.28
3
2
4
62.58
2
[(2R,3R)-5,7-dihydroxy-2-[3,4,6-trihydroxy-5-oxo-1-[(2R,3R)-3,5,7-trihydroxy-3,4-dihydro-2H-chromen-2-yl]benzo[7]annulen-8-yl]-3,4-dihydro-2H-chromen-3-yl] 3,4-dihydroxy-5-methoxybenzoate
730.60
3.9
10
16
273.36
6
[(2R,3R)-2-[8-[(2R,3R)-3-(3,4-dihydroxy-5-methoxybenzoyl)oxy-5,7-dihydroxy-3,4-dihydro-2H-chromen-2-yl]-3,4,6-trihydroxy-5-oxobenzo[7]annulen-1-yl]-5,7-dihydroxy-3,4-dihydro-2H-chromen-3-yl] 3,4,5-trihydroxybenzoate
882.70
5
12
20
340.12
9
Epitheaflavic acid 3a(2)-gallate
580.40
3
9
14
251.74
5
3,3'-Bis(4''-hydroxyanigorufone)
574.60
7.4
4
6
115.06
3
methyl (3R,21S,22S)-16-ethenyl-11-ethyl-4-hydroxy-12,17,21,26-tetramethyl-22-[3-oxo-3-[(E,7S,11S)-3,7,11,15-tetramethylhexadec-2-enoxy]propyl]-7,23,24,25-tetrazahexacyclo[18.2.1.15,8.110,13.115,18.02,6]hexacosa-1,4,6,8(26),9,11,13(25),14,16,18(24),19-undecaene-3-carboxylate
871.20
11.7
2
9
121.94
22
7-Tridecanol
200.36
5.4
1
1
20.23
10
1,1-bis[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxyxanthene-2,9-dione
532.70
8.7
3
6
107.97
10
1-[(2Z)-3,7-dimethylocta-2,6-dienyl]-1-[(2E)-3,7-dimethylocta-2,6-dienyl]-3,6,8-trihydroxyxanthene-2,9-dione
532.70
8.7
3
6
107.97
10
10,21,22,26-Tetramethoxy-16,31-dimethyl-8,24-dioxa-16,31-diazaheptacyclo[23.6.2.13,7.19,13.115,19.028,32.023,34]hexatriaconta-3(36),4,6,9,11,13(35),19,21,23(34),25,27,32-dodecaene
622.70
6.7
0
8
61.86
4
Methyl 12,15,16-trihydroxy-9,13-dimethyl-3-(3-methylbut-2-enoyloxy)-4-oxo-11-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-5,18-dioxapentacyclo[12.5.0.01,6.02,17.08,13]nonadec-9-ene-17-carboxylate
684.70
-1.4
7
16
248.2
8
(2S,4Z)-4-[2-[(1S)-1-carboxy-2-(1H-indol-3-yl)ethyl]iminoethylidene]-2,3-dihydro-1H-pyridine-2,6-dicarboxylic acid
397.40
1.7
5
8
152.08
7
1-Ethyl-2-methylcyclopentane
112.21
3.8
0
0
0
1
7-Deacetyl-1,9-dideoxyforskolin from Coleus forskohlii
336.50
2.7
2
4
66.76
1
2,6-Diethylpyridine
135.21
2.5
0
1
12.89
2
7,8-dimethyl-4-oxo-10-[(2S,3S,4R)-2,3,4-trihydroxy-5-phosphonooxypentyl]-3,5-dihydrobenzo[g]pteridin-5-ium-2-olate
458.40
-1.2
7
11
225.92
7
1,2-Dihydroxy-6,7,8-trimethoxy-3-methylanthracene-9,10-dione
344.30
3
2
7
102.29
3
1,2,6,8-Tetrahydroxy-7-methoxy-3-methylanthraquinon
316.26
2.3
4
7
124.29
1
1-Desmethylobtusin
330.29
2.7
3
7
113.29
2
9-[(4aR,6R,7S,7aR)-2,7-dihydroxy-2-oxo-4a,6,7,7a-tetrahydro-4H-furo[3,2-d][1,3,2]dioxaphosphinin-6-yl]-2-amino-1H-purin-6-one
345.21
-3.4
4
9
184.62
1
11-Hydroxy-7-(1-hydroxyethylidene)-3-methoxy-5-methyl-4-(3-methylbut-2-enyl)cyclohepta[b]quinoline-1,6,8-trione
409.40
3.2
2
7
105.83
3
5-Ethyl-4-methyloxolan-2-one
128.17
1.6
0
2
26.3
1
12-Ethenyl-3-hydroxy-2-methoxy-5,6-dihydroisoquinolino[2,1-b][2,7]naphthyridin-8-one
320.30
2.5
1
4
64.35
2
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