| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 23rd, 2010 | 23 | Yes |
Popular Name: (2S)-1-[4-[(4-chlorophenyl)methylamino]-4-oxo-butanoyl]pyrrolidine-2-carboxylic (2S)-1-[4-[(4-chlorophenyl)methy…
| 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) | -0.43 | 7.35 | -57.97 | 1 | 6 | -1 | 90 | 337.783 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 12 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE_RAT | O70196 | Prolyl Endopeptidase, Rat | 12 | 0.48 | Binding ≤ 1μM |
| PPCE_RAT | O70196 | Prolyl Endopeptidase, Rat | 12 | 0.48 | Binding ≤ 10μM |
