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)
|
4.24 |
9.22 |
-15.22 |
2 |
5 |
0 |
85 |
309.35 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
4.24 |
9.38 |
-37.94 |
3 |
5 |
1 |
86 |
310.358 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
AA1R-1-E |
Adenosine A1 Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
8300 |
0.32 |
Functional ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Adenosine P1 receptors |
|
G alpha (i) signalling events |
|
No pre-computed analogs available. Try a structural similarity search.