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 |
|
Mid
Mid (pH 6-8)
|
1.59 |
14.84 |
-38 |
0 |
2 |
1 |
6 |
369.532 |
6 |
↓
|
|
Lo
Low (pH 4.5-6)
|
1.59 |
16.63 |
-116.69 |
1 |
2 |
2 |
7 |
370.54 |
6 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Therapy |
H1 antihistamine |
SMDC Pharmakon |
No pre-computed analogs available. Try a structural similarity search.
