| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 13th, 2009 | 23 | Yes |
Popular Name: 5-(aminomethyl)-6-(2,4-dichlorophenyl)-2-morpholino-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) | 2.71 | 4.17 | -52.94 | 5 | 6 | 1 | 92 | 355.249 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 4.54 | -105.94 | 6 | 6 | 2 | 93 | 356.257 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 4.13 | -26.33 | 5 | 6 | 1 | 92 | 355.249 | 3 | ↓ |
| Mid Mid (pH 6-8) | 2.71 | 3.77 | -9.06 | 4 | 6 | 0 | 90 | 354.241 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-1-E | Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic | Eukaryotes | 140 | 0.42 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_MOUSE | P28843 | Dipeptidyl Peptidase IV, Mouse | 140 | 0.42 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 140 | 0.42 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 140 | 0.42 | Binding ≤ 10μM |
| DPP4_MOUSE | P28843 | Dipeptidyl Peptidase IV, Mouse | 140 | 0.42 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
