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)
|
1.95 |
8.58 |
-95.47 |
2 |
2 |
2 |
9 |
198.354 |
4 |
↓
|
|
Mid
Mid (pH 6-8)
|
1.95 |
6.13 |
-31.62 |
1 |
2 |
1 |
8 |
197.346 |
4 |
↓
|
|
Mid
Mid (pH 6-8)
|
1.95 |
6.36 |
-31.87 |
1 |
2 |
1 |
8 |
197.346 |
4 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_PATENT_ID |
WO2000021955A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
