| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 34 | Yes |
| 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) | 3.57 | 11.51 | -29.89 | 0 | 7 | 0 | 84 | 459.546 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 6 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE_PIG | P23687 | Prolyl Endopeptidase, Pig | 5.6 | 0.34 | Binding ≤ 1μM |
| PPCE_PIG | P23687 | Prolyl Endopeptidase, Pig | 5.6 | 0.34 | Binding ≤ 10μM |
