| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 16th, 2009 | 35 | 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) | -0.97 | 7.42 | -45.14 | 1 | 9 | 0 | 93 | 481.597 | 4 | ↓ |
| Mid Mid (pH 6-8) | -0.97 | 8.79 | -82.42 | 2 | 9 | 1 | 98 | 482.605 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 33 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 33 | 0.30 | Binding ≤ 1μM |
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 33 | 0.30 | Binding ≤ 10μM |
