| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 18 | Yes |
Popular Name: 5-(aminomethyl)-6-(2,4-dichlorophenyl)pyrimidine-2,4-diamine 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) | 1.71 | 3.08 | -49.51 | 7 | 5 | 1 | 105 | 285.158 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.71 | 2.68 | -8.85 | 6 | 5 | 0 | 104 | 284.15 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.71 | 3.52 | -101.95 | 8 | 5 | 2 | 107 | 286.166 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-1-E | Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic | Eukaryotes | 270 | 0.51 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_MOUSE | P28843 | Dipeptidyl Peptidase IV, Mouse | 270 | 0.51 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 270 | 0.51 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 270 | 0.51 | Binding ≤ 10μM |
| DPP4_MOUSE | P28843 | Dipeptidyl Peptidase IV, Mouse | 270 | 0.51 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
