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)
|
-2.34 |
-3.61 |
-62.37 |
6 |
9 |
1 |
145 |
245.215 |
2 |
↓
|
|
Mid
Mid (pH 6-8)
|
-2.34 |
-4.1 |
-28.13 |
5 |
9 |
0 |
144 |
244.207 |
2 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_PATENT_ID |
EP0110955A1; EP0110955B1; EP0286958A2; EP0289121A2; EP0289121B1; EP0315782A2; EP0315782B1; EP0327200A1; EP0327200B1; EP0390857A1; EP0475160B1; EP0544824A1; EP0544824B1; EP0567613A1; EP0651824A1; EP0668782A1; EP0672190A1; EP0772692A1; EP0803573A1; EP085246 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
