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)
|
0.47 |
0.8 |
-45.46 |
2 |
4 |
1 |
42 |
194.258 |
2 |
↓
|
Lo
Low (pH 4.5-6)
|
0.47 |
1.09 |
-91.35 |
3 |
4 |
2 |
43 |
195.266 |
2 |
↓
|
Clustered Target Annotations
Code |
Organism Class |
Affinity (nM) |
LE (kcal/mol/atom) |
Type |
Z104290-4-O |
Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #4 Of 4), Other |
Other |
500 |
0.63 |
Binding ≤ 10μM
|
No pre-computed analogs available. Try a structural similarity search.