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)
|
6.30 |
15.22 |
-40.33 |
1 |
2 |
1 |
8 |
415.626 |
2 |
↓
|
Hi
High (pH 8-9.5)
|
6.30 |
12.86 |
-4.59 |
0 |
2 |
0 |
6 |
414.618 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
ADA1A-1-E |
Alpha-1a Adrenergic Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
2 |
0.41 |
Binding ≤ 10μM
|
ADA1B-1-E |
Alpha-1b Adrenergic Receptor (cluster #1 Of 4), Eukaryotic |
Eukaryotes |
1 |
0.42 |
Binding ≤ 10μM
|
ADA1D-1-E |
Alpha-1d Adrenergic Receptor (cluster #1 Of 3), Eukaryotic |
Eukaryotes |
16 |
0.36 |
Binding ≤ 10μM
|
DRD2-17-E |
Dopamine D2 Receptor (cluster #17 Of 24), Eukaryotic |
Eukaryotes |
2 |
0.41 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Dopamine receptors |
|
G alpha (i) signalling events |
|
No pre-computed analogs available. Try a structural similarity search.