| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 18th, 2006 | 24 | Yes |
Popular Name: 4-[4-(2,6-dimethylphenyl)aminopyrimidin-2-yl]aminobenzonitrile 4-[4-(2,6-dimethylphenyl)aminopy…
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| 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) | 5.00 | 1.81 | -7.73 | 2 | 5 | 0 | 73 | 315.38 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607-2-O | Human Immunodeficiency Virus 1 (cluster #2 Of 10), Other | Other | 61 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50607 | Z50607 | Human Immunodeficiency Virus 1 | 0.7 | 0.53 | Functional ≤ 10μM |
