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)
|
5.52 |
16.1 |
-12.53 |
1 |
6 |
0 |
64 |
457.537 |
6 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
AA1R-2-E |
Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic |
Eukaryotes |
54 |
0.29 |
Binding ≤ 10μM
|
AA3R-2-E |
Adenosine Receptor A3 (cluster #2 Of 6), Eukaryotic |
Eukaryotes |
1020 |
0.24 |
Binding ≤ 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.