| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 3rd, 2009 | 38 | No |
| 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) | -0.39 | 3.66 | -167.66 | 10 | 12 | 3 | 186 | 547.573 | 10 | ↓ |
| Hi High (pH 8-9.5) | -0.39 | 1.62 | -33.47 | 7 | 12 | 0 | 178 | 544.549 | 10 | ↓ |
| Hi High (pH 8-9.5) | -0.39 | 2.01 | -74.14 | 8 | 12 | 1 | 180 | 545.557 | 10 | ↓ |
| Hi High (pH 8-9.5) | -0.39 | 2.88 | -56.26 | 8 | 12 | 1 | 183 | 545.557 | 10 | ↓ |
| Mid Mid (pH 6-8) | -0.39 | 3.27 | -109.5 | 9 | 12 | 2 | 184 | 546.565 | 10 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-1-E | Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic | Eukaryotes | 500 | 0.23 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 500 | 0.23 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 500 | 0.23 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
