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)
|
3.35 |
13.99 |
-66.64 |
1 |
5 |
0 |
71 |
365.429 |
6 |
↓
|
|
Mid
Mid (pH 6-8)
|
3.35 |
11.82 |
-54.95 |
0 |
5 |
-1 |
70 |
364.421 |
6 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Melting_Point |
ca 190? dec |
Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.
