| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 21 | Yes |
Popular Name: 5-(aminomethyl)-6-(2,4-dichlorophenyl)-N-ethyl-N-methyl-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) | 3.24 | 7.48 | -55.8 | 5 | 5 | 1 | 83 | 327.239 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.24 | 7.05 | -8.39 | 4 | 5 | 0 | 81 | 326.231 | 4 | ↓ |
| Mid Mid (pH 6-8) | 3.24 | 7.7 | -105.52 | 6 | 5 | 2 | 84 | 328.247 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4-1-E | Dipeptidyl Peptidase IV (cluster #1 Of 3), Eukaryotic | Eukaryotes | 55 | 0.48 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPP4_MOUSE | P28843 | Dipeptidyl Peptidase IV, Mouse | 55 | 0.48 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 55 | 0.48 | Binding ≤ 1μM |
| DPP4_HUMAN | P27487 | Dipeptidyl Peptidase IV, Human | 55 | 0.48 | Binding ≤ 10μM |
| DPP4_MOUSE | P28843 | Dipeptidyl Peptidase IV, Mouse | 55 | 0.48 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Synthesis, secretion, and inactivation of Glucagon-like Peptide-1 (GLP-1) | |
| Synthesis, secretion, and inactivation of Glucose-dependent Insulinotropic Polyp |
