| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 18th, 2008 | 24 | Yes |
Popular Name: 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-(m-tolyl)pyrimidin-4-amine 5-(aminomethyl)-6-(2,4-dichlorop…
| 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) | 4.45 | 7.92 | -55.43 | 5 | 4 | 1 | 79 | 360.268 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.45 | 8.14 | -107.65 | 6 | 4 | 2 | 81 | 361.276 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 4.45 | 4.82 | -118.11 | 6 | 4 | 2 | 81 | 361.276 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-2-E | Dipeptidyl Peptidase IV (cluster #2 Of 2), Eukaryotic | Eukaryotes | 1 | 0.53 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 0.9 | 0.53 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
