ID: ALA2096677
Type: PROTEIN FAMILY
Synonyms: 2.7.2.3 | Cell migration-inducing gene 10 protein | PGK1 | PGKA | Phosphoglycerate kinase 1 | Primer recognition protein 2 | PRP 2
Organism: Homo sapiens
Species Group: Homo sapiens
Protein Target Classification: Enzyme / Transferase
Name:
2-[6-Amino-2-(2,2-diphenyl-ethylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Mol. Formula:
C24H26N6O4
M.W.:
462.51
Type:
Small molecule
AlogP:
1.26
Polar Surface Area:
151.57
HBA:
10
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.27
Name:
2-[6-Amino-2-(3-phenyl-propylamino)-purin-9-yl]-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Mol. Formula:
C19H24N6O4
M.W.:
400.44
Type:
Small molecule
AlogP:
0.06
Polar Surface Area:
151.57
HBA:
10
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
7
Passes Ro3:
N
QED Weighted:
0.35
Name:
2-(6-Amino-2-benzylamino-purin-9-yl)-5-hydroxymethyl-tetrahydro-furan-3,4-diol
Mol. Formula:
C17H20N6O4
M.W.:
372.39
Type:
Small molecule
AlogP:
-0.37
Polar Surface Area:
151.57
HBA:
10
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.40
Name:
[(2,2-Difluoro-2-phosphono-ethylcarbamoyl)-difluoro-methyl]-phosphonic acid
Mol. Formula:
C4H7F4NO7P2
M.W.:
319.04
Type:
Small molecule
AlogP:
-0.36
Polar Surface Area:
144.16
HBA:
3
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.34
Name:
[(2-Phosphono-ethylcarbamoyl)-methyl]-phosphonic acid
Mol. Formula:
C4H11NO7P2
M.W.:
247.08
Type:
Small molecule
AlogP:
-1.54
Polar Surface Area:
144.16
HBA:
3
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.37
Name:
[Difluoro-(2-phosphono-ethylcarbamoyl)-methyl]-phosphonic acid
Mol. Formula:
C4H9F2NO7P2
M.W.:
283.06
Type:
Small molecule
AlogP:
-0.95
Polar Surface Area:
144.16
HBA:
3
HBD:
5
#RO5 Violations:
0
#Rotatable Bonds:
5
Passes Ro3:
N
QED Weighted:
0.41
Name:
(1,1,3,3-Tetrafluoro-2,2-dihydroxy-3-phosphono-propyl)-phosphonic acid
Mol. Formula:
C3H6F4O8P2
M.W.:
308.01
Type:
Small molecule
AlogP:
-0.79
Polar Surface Area:
155.52
HBA:
4
HBD:
6
#RO5 Violations:
1
#Rotatable Bonds:
4
Passes Ro3:
N
QED Weighted:
0.22