| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 21 | No |
Popular Name: 1-[(2S)-2-(pyrrolidine-1-carbonyl)pyrrolidin-1-yl]octan-1-one 1-[(2S)-2-(pyrrolidine-1-carbony…
| 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) | 3.27 | 9.98 | -17.57 | 0 | 4 | 0 | 41 | 294.439 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 48 | 0.49 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE_RAT | O70196 | Prolyl Endopeptidase, Rat | 20 | 0.51 | Binding ≤ 1μM |
| PPCE_RAT | O70196 | Prolyl Endopeptidase, Rat | 20 | 0.51 | Binding ≤ 10μM |
