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)
|
5.76 |
7.2 |
-9.82 |
2 |
5 |
0 |
76 |
584.103 |
0 |
↓
|
|
Hi
High (pH 8-9.5)
|
5.76 |
7.97 |
-44.16 |
1 |
5 |
-1 |
79 |
583.095 |
0 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Melting_Point |
239-241? dec. |
Alfa-Aesar |
| Melting_Point |
239-241° dec. |
Alfa-Aesar |
No pre-computed analogs available. Try a structural similarity search.
