| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 31 | No |
Popular Name: 1-[(4R)-4-(pyrrolidine-1-carbonyl)thiazolidin-3-yl]octadecan-1-one 1-[(4R)-4-(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) | 8.25 | 16.51 | -15.61 | 0 | 4 | 0 | 41 | 452.749 | 17 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE-1-E | Prolyl Endopeptidase (cluster #1 Of 2), Eukaryotic | Eukaryotes | 904 | 0.27 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PPCE_RAT | O70196 | Prolyl Endopeptidase, Rat | 904 | 0.27 | Binding ≤ 1μM |
| PPCE_RAT | O70196 | Prolyl Endopeptidase, Rat | 904 | 0.27 | Binding ≤ 10μM |
