| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 13 | Yes |
| 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) | -1.72 | -0.2 | -114.03 | 6 | 4 | 2 | 76 | 187.287 | 4 | ↓ |
| Hi High (pH 8-9.5) | -1.72 | -0.51 | -48.6 | 5 | 4 | 1 | 74 | 186.279 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2-2-E | Dipeptidyl Peptidase II (cluster #2 Of 2), Eukaryotic | Eukaryotes | 9800 | 0.54 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP2_HUMAN | Q9UHL4 | Dipeptidyl Peptidase II, Human | 9800 | 0.54 | Binding ≤ 10μM |
