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)
|
1.44 |
3.76 |
-41.9 |
3 |
2 |
1 |
29 |
213.251 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
1.44 |
2.4 |
-3.86 |
2 |
2 |
0 |
24 |
212.243 |
2 |
↓
|
|
Hi
High (pH 8-9.5)
|
1.44 |
3.61 |
-32.69 |
3 |
2 |
1 |
29 |
213.251 |
2 |
↓
|
|
Lo
Low (pH 4.5-6)
|
1.44 |
4.96 |
-118.08 |
4 |
2 |
2 |
33 |
214.259 |
2 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_PATENT_ID |
WO1998058947A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
