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)
|
2.09 |
6.33 |
-71.08 |
2 |
9 |
-1 |
141 |
397.392 |
6 |
↓
|
|
Hi
High (pH 8-9.5)
|
2.09 |
6.39 |
-105.83 |
1 |
9 |
-2 |
143 |
396.384 |
6 |
↓
|
|
Lo
Low (pH 4.5-6)
|
2.09 |
6.48 |
-93.21 |
3 |
9 |
0 |
142 |
398.4 |
6 |
↓
|
Vendor Notes
| Note Type |
Comments |
Provided By |
| PUBCHEM_PATENT_ID |
EP0045006A1; EP0050981A2; EP0195582A1; EP0213072A2; EP0213072B1; EP0240904B1; EP0256532A1; EP0256532B1; EP0274870A2; EP0278174A2; EP0278174B1; EP0313328A1; EP0328775A1; EP0328775B1; EP0341311A1; EP0343993A1; EP0343993B1; EP0356484A1; EP0356484B1; EP035810 |
IBM Patent Data |
No pre-computed analogs available. Try a structural similarity search.
