| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 25th, 2008 | 28 | No |
Popular Name: 4-[[4-[[4-[(Z)-2-cyanovinyl]-2,6-dimethyl-phenyl]amino]pyrimidin-2-yl]amino]benzonitrile 4-[[4-[[4-[(Z)-2-cyanovinyl]-2,6…
| 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) | 5.46 | 13.57 | -14.32 | 2 | 6 | 0 | 97 | 366.428 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-1-O | Human Immunodeficiency Virus 1 (cluster #1 Of 10), Other | Other | 794 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 0.6 | 0.46 | Functional ≤ 10μM |
