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)
|
1.39 |
4.45 |
-87.42 |
3 |
3 |
2 |
34 |
229.327 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
1.39 |
2.82 |
-5.9 |
1 |
3 |
0 |
28 |
227.311 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
1.39 |
4.15 |
-40.56 |
2 |
3 |
1 |
33 |
228.319 |
2 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_PATENT_ID |
WO1999054308A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
