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)
|
-1.88 |
10.19 |
-34.68 |
1 |
4 |
1 |
40 |
296.394 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
1.52 |
9.81 |
-14.1 |
0 |
4 |
0 |
38 |
295.386 |
2 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Therapy |
antiallergic, antiemetic, anti-schizophrenic |
SMDC Pharmakon |
No pre-computed analogs available. Try a structural similarity search.
