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)
|
2.03 |
5.87 |
-8.91 |
1 |
3 |
0 |
42 |
195.225 |
1 |
↓
|
|
Lo
Low (pH 4.5-6)
|
2.03 |
5.85 |
-30.37 |
2 |
3 |
1 |
43 |
196.233 |
1 |
↓
|
|
Lo
Low (pH 4.5-6)
|
2.03 |
6.43 |
-31.76 |
2 |
3 |
1 |
43 |
196.233 |
1 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_PATENT_ID |
EP0719144A1; US5338846; WO1995007698A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
