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)
|
3.14 |
6.96 |
-13.59 |
0 |
5 |
0 |
66 |
334.354 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
3.14 |
7.43 |
-35.47 |
1 |
5 |
1 |
67 |
335.362 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
GRM5-2-E |
Metabotropic Glutamate Receptor 5 (cluster #2 Of 5), Eukaryotic |
Eukaryotes |
16 |
0.44 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Class C/3 (Metabotropic glutamate/pheromone receptors) |
|
G alpha (q) signalling events |
|
Rings
-
Oxazole
-
Pyridine
-
Benzene
-
2,3,4,7-tetrahydro-1H-azepine
-
5,6,7,8-tetrahydro-4H-oxazolo[4,…
-
5-phenyl-2-(2-pyridyl)-4,6,7,8-t…
No pre-computed analogs available. Try a structural similarity search.