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)
|
4.88 |
7.78 |
-45.5 |
1 |
5 |
0 |
72 |
392.48 |
5 |
↓
|
|
Hi
High (pH 8-9.5)
|
4.88 |
7.4 |
-48.21 |
0 |
5 |
-1 |
70 |
391.472 |
5 |
↓
|
|
Mid
Mid (pH 6-8)
|
4.88 |
7.24 |
-17.98 |
1 |
5 |
0 |
68 |
392.48 |
5 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| Therapy |
antineoplastic, immune suppressive |
SMDC Pharmakon |
No pre-computed analogs available. Try a structural similarity search.
