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)
|
1.75 |
4.66 |
-32 |
2 |
3 |
1 |
28 |
251.394 |
0 |
↓
|
|
Mid
Mid (pH 6-8)
|
1.75 |
4.42 |
-28.28 |
2 |
3 |
1 |
28 |
251.394 |
0 |
↓
|
|
Mid
Mid (pH 6-8)
|
1.75 |
6.27 |
-92.77 |
3 |
3 |
2 |
29 |
252.402 |
0 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Molecular_Solubility |
0.887 |
Bitter DB |
No pre-computed analogs available. Try a structural similarity search.
