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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
1,5,6-Trimethoxy-2-methyl-3-hydroxy-9,10-anthraquinone
328.30
2.8
1
6
82.06
3
(2S,3R,4S,5S,6R)-2-[[(1S,4aS,7S,7aS)-7-hydroxy-4,7-dimethyl-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-1-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
346.37
-1.3
5
8
128.84
3
Salicortin
424.40
-0.6
5
10
162.98
7
4-Octanone
128.21
2.1
0
1
17.07
5
(+)-Lappaconitine >90%
584.70
1.6
3
9
126.79
8
Apteniol C
372.40
3.6
0
6
71.06
11
Pivmecillinam
439.60
3.1
0
7
113.81
8
Tetraphyllin B
287.27
-2.3
5
8
143.4
3
(2S,3S)-2-(3,4-Methylenedioxybenzyl)-3-(5-methoxy-3,4-methylenedioxybenzyl) butyrolactone
384.40
3.6
0
7
72.45
5
Gomisin R
400.40
3.9
1
7
75.61
2
Butyl octanoate
200.32
4.4
0
2
26.3
10
Mammea E/BA
430.50
4.8
2
7
114.04
9
Urea, N-(2-(2-oxo-1-imidazolidinyl)ethyl)-N'-phenyl-
248.28
0
3
2
73.47
4
3,3'-[Oxybis(methylene)]bis(9-methoxy-9h-carbazole)
436.50
6.7
0
3
37.55
6
1,3,8,10-Tetrahydroxy-2-methyl-4,9-bis(3-methylbut-2-enyl)-[1]benzofuro[2,3-b]chromen-11-one
450.50
7
4
7
124.27
4
Norcowanin
464.50
7.8
4
6
111.13
7
latilagascene B
480.60
4.4
2
6
96.36
5
[(1R,3S,3aR,4S,8S,8aS)-3-acetyloxy-1-hydroxy-3a,6-dimethyl-8-[(Z)-2-methylbut-2-enoyl]oxy-1-propan-2-yl-2,3,4,7,8,8a-hexahydroazulen-4-yl] benzoate
498.60
5.1
1
7
99.13
9
3-Methylheptane
114.23
4.3
0
0
0
4
3-O-beta-D-Glucopyranosylandrographolide
512.60
0
6
10
166.14
6
[(3S,4R,5S)-5-[(2S,3R,4S,5S,6R)-4,5-dihydroxy-6-(hydroxymethyl)-2-[4-(hydroxymethyl)phenoxy]oxan-3-yl]oxy-3,4-dihydroxyoxolan-3-yl]methyl 4-aminobenzoate
537.50
-1.3
7
13
210.62
10
Lancifodilactone M
542.60
0
1
10
134.66
0
Brassinolide
480.70
4.8
4
6
107.22
5
3-Heptanol
116.20
2.2
1
1
20.23
4
(2S,3R,4S,5R)-2-[(1S,1'S,4S,4'R,5S,5'R,6'R,10'S,12'S,13'S,16'R,18'S,21'R)-1,4',6',12',17',17'-hexamethylspiro[3,6-dioxabicyclo[3.1.0]hexane-4,8'-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosane]-18'-yl]oxyoxane-3,4,5-triol
602.80
4.6
3
8
110.14
2
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