| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 19 | Yes |
Popular Name: (2S)-4-amino-1-(1-piperidyl)-2-(4-piperidylamino)butan-1-one (2S)-4-amino-1-(1-piperidyl)-2-(…
None
| 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) | -0.76 | 0.98 | -124.52 | 6 | 5 | 2 | 77 | 270.421 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.76 | -0.1 | -53.38 | 5 | 5 | 1 | 72 | 269.413 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.76 | 1.28 | -105.67 | 6 | 5 | 2 | 77 | 270.421 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2-2-E | Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 17 | 0.57 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 17 | 0.57 | Binding ≤ 1μM |
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 17 | 0.57 | Binding ≤ 10μM |
