| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 17 | Yes |
Popular Name: (2S)-2-amino-3-cyclohexyl-1-(1-piperidyl)propan-1-one (2S)-2-amino-3-cyclohexyl-1-(1-p…
| 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) | 2.18 | 5.55 | -45.28 | 3 | 3 | 1 | 48 | 239.383 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.18 | 5.26 | -5.23 | 2 | 3 | 0 | 46 | 238.375 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2-2-E | Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9900 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 9900 | 0.41 | Binding ≤ 10μM |
