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)
|
0.71 |
6.45 |
-11.31 |
0 |
6 |
0 |
62 |
220.232 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
0.71 |
6.94 |
-46.6 |
1 |
6 |
1 |
63 |
221.24 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
AA2AR-1-E |
Adenosine A2a Receptor (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
6500 |
0.45 |
Functional ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.