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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
6-Hydroxy-3,3',4',5,7,8-hexamethoxyflavone
418.40
2.9
1
9
105.82
7
Prenyl arabinosyl-(1->6)-glucoside
380.39
-2.6
6
10
158.3
6
2-(hydroxymethyl)-6-[6-[[(E)-4-hydroxy-3-methylbut-2-enyl]amino]purin-9-yl]oxane-3,4,5-triol
381.38
-0.8
6
10
166.01
6
(3Z)-8a-hydroxy-8,8-dimethyl-3-[(4-methyl-5-oxo-2H-furan-2-yl)oxymethylidene]-5,6,7,8b-tetrahydro-3aH-indeno[1,2-b]furan-2-one
346.40
2
1
6
82.06
2
Notoginsenoside R9
654.90
2.6
8
10
180.3
7
Camelliatannin E
1074.80
2
19
28
498.8
4
Camelliatannin C
1074.80
2
19
28
498.8
4
Valeracetate
280.40
3.3
0
3
35.53
3
Aeglin
510.50
0.2
6
11
179.28
10
Taxifolin 3-arabinoside
436.40
0.5
7
11
186.37
4
[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
902.80
0.1
12
22
354.65
13
[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-4,5-dihydroxy-6-(hydroxymethyl)oxan-3-yl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
932.80
0.1
12
23
363.88
14
[2-[3-[4,5-dihydroxy-6-(hydroxymethyl)-3-(3,4,5-trihydroxy-6-methyloxan-2-yl)oxyoxan-2-yl]oxy-5-hydroxy-2-(4-hydroxyphenyl)-4-oxochromen-7-yl]oxy-5-hydroxy-6-(hydroxymethyl)-4-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyoxan-3-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate
1064.90
-1.5
15
27
433.8
16
5,16-Dihydroxy-11-methyl-6-methylidene-12-oxo-13-oxapentacyclo[9.3.3.15,8.01,10.02,8]octadecane-9-carboxylic acid
362.40
0.5
3
6
104.06
1
Isopentyl gentiobioside
412.40
-2.5
7
11
178.53
8
Isopropyl apiosylglucoside
354.35
-3
6
10
158.3
6
cis-Annonacin-10-one
594.90
7.4
3
7
113.29
26
(+)-Ginsenoside Rh4
620.90
5.6
6
8
139.84
6
Piperenol C
448.40
1.1
0
10
131.5
12
Elenolic acid 2-O-glucoside
404.40
-2
5
11
172.21
7
Cucurbitachrome 1
600.90
9.4
2
4
58.92
9
Setariol
414.60
4.9
3
3
60.69
6
3'-O-Methylequol
272.29
2.9
2
4
58.92
2
TG(14:0/20:2n6/20:4(5Z,8Z,11Z,14Z))
879.40
20.6
0
6
78.9
50
1-Palmitoyl-2-palmitoyl-3-behenoyl-glycerol
891.50
25.2
0
6
78.9
56
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