| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 19 | Yes |
Popular Name: (S)-tert-Butyl 2-(pyrrolidine-1-carbonyl)pyrrolidine-1-carboxylate (S)-tert-Butyl 2-(pyrrolidine-1-…
Find On: PubMed — Wikipedia — Google
CAS Number: 155251-70-0
| 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) | 1.52 | 6.26 | -16.14 | 0 | 5 | 0 | 50 | 268.357 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 32 | 0.55 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 32 | 0.55 | Binding ≤ 1μM |
| PPCE_PIG | P23687 | Prolyl Endopeptidase, Pig | 29 | 0.56 | Binding ≤ 1μM |
| PPCE_HUMAN | P48147 | Prolyl Endopeptidase, Human | 32 | 0.55 | Binding ≤ 10μM |
| PPCE_PIG | P23687 | Prolyl Endopeptidase, Pig | 29 | 0.56 | Binding ≤ 10μM |
