| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 29 | Yes |
Popular Name: 5-phenyl-1-[(3S)-3-(pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one 5-phenyl-1-[(3S)-3-(pyrrolidine-…
| 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) | 3.89 | 14.58 | -17.28 | 0 | 4 | 0 | 41 | 390.527 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 14 | 0.38 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 14 | 0.38 | Binding ≤ 1μM |
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 14 | 0.38 | Binding ≤ 10μM |
