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)
|
0.77 |
2.01 |
-75.07 |
4 |
7 |
0 |
115 |
282.296 |
9 |
↓
|
|
Mid
Mid (pH 6-8)
|
0.77 |
0.99 |
-50.98 |
3 |
7 |
-1 |
114 |
281.288 |
9 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Melting_Point |
165? |
Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.
