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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
Rhodalin
434.30
0.4
7
11
190.28
3
2-(3,4-Dihydroxyphenyl)-3,5,8-trihydroxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
464.40
0.5
8
12
210.51
3
2-(3,4-Dihydroxyphenyl)-3,5-dihydroxy-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
626.50
-1.3
11
17
289.66
6
3,5-Dihydroxy-2-(4-hydroxyphenyl)-8-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-7-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxychromen-4-one
610.50
-0.9
10
16
269.43
6
5,7-Dihydroxy-2-(4-hydroxyphenyl)-3-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-8-(3,4,5-trihydroxyoxan-2-yl)oxychromen-4-one
596.50
-1.4
10
16
269.43
6
Rhodalidin
596.50
-1.4
10
16
269.43
6
2-Methoxy-4-[1,2,3-tris(ethylsulfanyl)propyl]phenol
346.60
4.5
1
5
105.36
10
2,6-Dimethoxy-4-[1,2,3-tris(ethylsulfanyl)propyl]phenol
376.60
4.5
1
6
114.59
11
(6aR,11aR)-pterocarpan
224.25
3
0
2
18.46
0
(13S)-5-hydroxy-19,20,24-trimethoxy-14-methyl-7,22-dioxa-14,29-diazaheptacyclo[21.6.3.28,11.12,6.113,17.026,31.021,33]hexatriaconta-1(29),2(36),3,5,8,10,17,19,21(33),23,25,31,34-tridecaen-30-one
606.70
5.4
1
9
99.05
3
4,5,6-Trimethoxyindeno[1,2,3-ij]isoquinolin-9-ol
309.30
3
1
5
60.81
3
Magnoshinin
414.50
4.5
0
6
55.38
7
(13-Ethyl-14-hydroxy-8-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6-trien-18-yl) acetate
368.50
2.4
1
5
53.01
3
CID 13579075
350.40
1.6
0
5
58.97
3
[(1R,10S,12R,13R,14S,16S,17S,18R)-13-formyl-14-methyl-8,15-diazahexacyclo[14.2.1.01,9.02,7.010,15.012,17]nonadeca-2,4,6,8-tetraen-18-yl] acetate
350.40
1.6
0
5
58.97
3
[(2R,3R,5R)-5-(2-amino-6-oxo-1H-purin-9-yl)-3-hydroxyoxolan-2-yl]methyl phosphono hydrogen phosphate
427.20
-4.5
6
12
251.96
6
(2R,3R,11bS)-3-ethyl-2-[(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-10-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-9-ol
450.60
3.9
2
6
74.52
5
(2R,3R,11bS)-3-ethyl-2-[(6-hydroxy-7-methoxy-3,4-dihydroisoquinolin-1-yl)methyl]-9-methoxy-2,3,4,6,7,11b-hexahydro-1H-benzo[a]quinolizin-10-ol
450.60
3.9
2
6
74.52
5
(2S)-4-[(E)-2-(carboxymethylamino)vinyl]-2,3-dihydropyridine-2,6-dicarboxylic acid
268.22
-0.4
4
8
136.29
5
6,7-Dimethoxy-3,4-dihydroisoquinolin-8-ol
207.23
0.9
1
4
51.05
2
1,6-Dimethyl-4-isopropyl-5,8-naphthoquinone
228.29
3.3
0
2
34.14
1
Dodecylamine
185.35
5.3
1
1
26.02
10
Methyl behenate
354.60
11.2
0
2
26.3
21
Isofiliformine
351.30
3
1
7
87.11
2
Octadecyl vinyl ether
296.50
9.7
0
1
9.23
18
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