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)
|
0.64 |
9.1 |
-116.93 |
2 |
3 |
2 |
45 |
287.366 |
4 |
↓
|
Hi
High (pH 8-9.5)
|
0.64 |
8.76 |
-27.72 |
1 |
3 |
1 |
40 |
286.358 |
4 |
↓
|
Vendor Notes
Note Type |
Comments |
Provided By |
PUBCHEM_PATENT_ID |
EP0467647A2; EP0467647B1; EP0594263A1; EP0594263B1; EP0876370A1; EP1050534A1; US4098894; US4346187; US5214037; US5352792; WO1997025325A1 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.