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)
|
5.18 |
4.08 |
-39.7 |
5 |
10 |
0 |
171 |
538.464 |
4 |
↓
|
|
Hi
High (pH 8-9.5)
|
5.18 |
5.09 |
-85.16 |
4 |
10 |
-1 |
174 |
537.456 |
4 |
↓
|
|
Hi
High (pH 8-9.5)
|
5.18 |
5.09 |
-83.72 |
4 |
10 |
-1 |
174 |
537.456 |
4 |
↓
|
Clustered Target Annotations
| Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PA2GA-1-E |
Phospholipase A2, Membrane Associated (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
3500 |
0.19 |
Binding ≤ 10μM
|
ChEMBL Target Annotations
| Uniprot |
Swissprot |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
|
PA2GA_HUMAN |
P14555
|
Phospholipase A2 Group IIA, Human |
3500 |
0.19 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
| Description |
Species |
|
Acyl chain remodelling of PC |
|
|
Acyl chain remodelling of PE |
|
|
Acyl chain remodelling of PG |
|
|
Acyl chain remodelling of PI |
|
|
Acyl chain remodelling of PS |
|
|
Synthesis of PA |
|
No pre-computed analogs available. Try a structural similarity search.
