| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 27 | No |
Popular Name: 4-[[4-[4-[(E)-2-cyanovinyl]-2-methyl-anilino]pyrimidin-2-yl]amino]benzonitrile 4-[[4-[4-[(E)-2-cyanovinyl]-2-me…
| 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) | 5.08 | 14.02 | -13.58 | 2 | 6 | 0 | 97 | 352.401 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 5.08 | 14.25 | -49.45 | 3 | 6 | 1 | 99 | 353.409 | 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 | 9 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 0.6 | 0.48 | Functional ≤ 10μM |
