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)
|
4.81 |
6.4 |
-8.56 |
1 |
4 |
0 |
59 |
330.472 |
0 |
↓
|
Vendor Notes
Note Type |
Comments |
Provided By |
ALOGPS_SOLUBILITY |
2.77e-02 g/l |
DrugBank-Street Drugs |
PUBCHEM_PATENT_ID |
EP0665009A1; EP0665009B1; EP0766963A1; EP0766963B1; EP0901368A1; US5811547; US5840741; WO1997029735A1; WO2000010540A1; WO2000020007A1; WO2000048636A1; WO2000066612A1; WO2000069445A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.