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)
|
0.44 |
9.69 |
-20.12 |
0 |
11 |
0 |
149 |
390.341 |
15 |
↓
|
|
Mid
Mid (pH 6-8)
|
0.48 |
9.11 |
-64.73 |
0 |
11 |
-1 |
155 |
389.333 |
14 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Molecular_Solubility |
3.392 |
Bitter DB |
No pre-computed analogs available. Try a structural similarity search.
