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)
|
2.69 |
3.3 |
-5 |
1 |
3 |
0 |
27 |
260.381 |
2 |
↓
|
Mid
Mid (pH 6-8)
|
2.69 |
5.63 |
-33.84 |
2 |
3 |
1 |
28 |
261.389 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
VACHT-1-E |
Vesicular Acetylcholine Transporter (cluster #1 Of 1), Eukaryotic |
Eukaryotes |
300 |
0.48 |
Binding ≤ 10μM
|
Reactome Annotations from Targets (via Uniprot)
Description |
Species |
Acetylcholine Neurotransmitter Release Cycle |
|
No pre-computed analogs available. Try a structural similarity search.