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)
|
2.53 |
5.04 |
-39.01 |
2 |
2 |
1 |
26 |
212.7 |
1 |
↓
|
|
Mid
Mid (pH 6-8)
|
2.53 |
4 |
-2.4 |
1 |
2 |
0 |
21 |
211.692 |
1 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_PATENT_ID |
WO1998015541A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
