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)
|
8.79 |
20.85 |
-42.42 |
1 |
4 |
1 |
40 |
512.799 |
15 |
↓
|
|
Hi
High (pH 8-9.5)
|
8.79 |
18.77 |
-9.16 |
0 |
4 |
0 |
39 |
511.791 |
15 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_PATENT_ID |
US5498419; WO1995033429A1; WO2000050020A2 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
