| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 26th, 2009 | 18 | Yes |
Popular Name: (2S)-N-[(1S)-1-cyano-2-phenyl-ethyl]pyrrolidine-2-carboxamide (2S)-N-[(1S)-1-cyano-2-phenyl-et…
| 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) | 1.17 | 5.31 | -44.28 | 3 | 4 | 1 | 69 | 244.318 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.36 | 3.01 | -31.36 | 2 | 4 | 0 | 76 | 243.31 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATC-1-E | Dipeptidyl Peptidase I (cluster #1 Of 3), Eukaryotic | Eukaryotes | 9637 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| CATC_HUMAN | P53634 | Dipeptidyl Peptidase I, Human | 4806 | 0.41 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| MHC class II antigen presentation |
