| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 20 | Yes |
Popular Name: (2S)-2-amino-4-(cyclohexylmethylamino)-1-(1-piperidyl)butan-1-one (2S)-2-amino-4-(cyclohexylmethyl…
| 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) | 1.43 | 5.79 | -131.83 | 5 | 4 | 2 | 65 | 283.46 | 6 | ↓ |
| Mid Mid (pH 6-8) | 1.43 | 5.49 | -48.29 | 4 | 4 | 1 | 63 | 282.452 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2-2-E | Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.63 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 1.1 | 0.63 | Binding ≤ 1μM |
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 1.1 | 0.63 | Binding ≤ 10μM |
