Physical Representations
Type
pH range
|
xlogP
|
Des A‑Pol
Apolar desolvation
(kcal/mol)
|
Des Pol
Polar desolvation
(kcal/mol)
|
H Don
H-bond donors
|
H Acc
H-bond acceptors
|
Chg
Net charge
|
tPSA
(Ų)
|
MWT
Molecular weight
(g/mol)
|
RB
Rotatable bonds
|
DL |
Ref
Reference (pH 7)
|
2.99 |
0.66 |
-90.52 |
1 |
10 |
-2 |
144 |
460.781 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
2.99 |
0.75 |
-42.88 |
2 |
10 |
-1 |
145 |
461.789 |
7 |
↓
|
Lo
Low (pH 4.5-6)
|
2.99 |
0.65 |
-44.98 |
2 |
10 |
-1 |
145 |
461.789 |
7 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
PYGL-1-E |
Liver Glycogen Phosphorylase (cluster #1 Of 2), Eukaryotic |
Eukaryotes |
10000 |
0.23 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
PYGL_HUMAN |
P06737
|
Liver Glycogen Phosphorylase, Human |
10000 |
0.23 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Glycogen breakdown (glycogenolysis) |
|
No pre-computed analogs available. Try a structural similarity search.