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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
(+)-Norushinsunine N-oxide
311.30
1.6
1
4
61.75
0
(12S,13S)-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
311.30
1.6
1
4
61.75
0
(11R,12S,13R)-11-methyl-11-oxido-3,5-dioxa-11-azoniapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-13-ol
311.30
1.6
1
4
61.75
0
Oliveridine
325.40
2.2
1
5
51.16
1
Isopiline
297.30
2.6
2
4
50.72
2
angustilobine B, (rac)-
338.40
1.2
1
4
54.56
2
(+)-Cultithalminine
608.70
5.4
2
9
102.21
3
(12S)-16-methoxy-3,5-dioxa-11-azapentacyclo[10.7.1.02,6.08,20.014,19]icosa-1(20),2(6),7,14,16,18-hexaen-17-ol
311.30
2.4
2
5
59.95
1
(8S,9S,10R,13S,14S,17S)-10,13-dimethyl-17-[(1S)-1-(methylamino)ethyl]-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
329.50
4.4
1
2
29.1
2
(8R,9S,10R,13R,14S,17S)-13-(hydroxymethyl)-10-methyl-17-[(1S)-1-(methylamino)ethyl]-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one
343.50
3.4
2
3
49.33
3
2-Cyclohexylidenecyclohexanone
178.27
2.9
0
1
17.07
0
6-methoxy-2-methyl-1-[[4-[(1,2,9,10-tetramethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl)oxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-7-ol
652.80
6.4
1
9
82.09
9
7-methoxy-2-methyl-1-[[4-[(1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl)oxy]phenyl]methyl]-3,4-dihydro-1H-isoquinolin-6-ol
682.80
6.3
1
10
91.32
10
(1S)-1-[[4-[[(6aR)-1,2,3,9,10-pentamethoxy-6-methyl-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-8-yl]oxy]phenyl]methyl]-7-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-6-ol
682.80
6.3
1
10
91.32
10
Cytochalasin H (>90%)
493.60
3.4
3
5
95.86
4
Octatetracontane
675.30
25.6
0
0
0
45
(1S)-1alpha-(beta-D-Glucopyranosyloxy)-1,4aalpha,5,6,7,7aalpha-hexahydro-7alpha-(hydroxymethyl)cyclopenta[c]pyran-4alpha-carboxylic acid methyl ester
390.40
-1.4
5
10
155.14
6
Adoxosidic acid
376.36
-1.8
6
10
166.14
5
methyl 5,7-dihydroxy-7-methyl-1-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-4a,5,6,7a-tetrahydro-1H-cyclopenta[c]pyran-4-carboxylate
406.40
-2.6
6
11
175.37
5
Shanzhiside methyl ester
406.40
-2.6
6
11
175.37
5
(2S,3R,4S,5S,6R)-2-[[(1S,2S,4S,5R,6S,10S)-5,6-dihydroxy-2-(hydroxymethyl)-3,9-dioxatricyclo[4.4.0.02,4]dec-7-en-10-yl]oxy]-6-(hydroxymethyl)oxane-3,4,5-triol
378.33
-4.3
7
11
181.83
4
1(7)-Bicyclo(5.3.0)decane
136.23
2.9
0
0
0
0
Cyclopropa[d]naphthalen-3(1H)-one, octahydro-2,4a,8,8-tetramethyl-, (1aS,2S,4aS,8aS)-
220.35
4.2
0
1
17.07
0
Phenylethanol + Hex-Pen
416.40
-1.9
6
10
158.3
8
(2R,3S,4S,5R,6R)-2-[[(2R,3R,4R)-3,4-dihydroxy-4-(hydroxymethyl)oxolan-2-yl]oxymethyl]-6-(2-phenylethoxy)oxane-3,4,5-triol
416.40
-1.9
6
10
158.3
8
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