| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 15th, 2008 | 35 | Yes |
Popular Name: 4-{4-[(4-chlorophenyl)(phenyl)methyl]-1-piperazinyl}-1-phenyl-1H-pyrazolo[3,4-d]pyrimidine 4-{4-[(4-chlorophenyl)(phenyl)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) | 5.33 | 14.88 | -9.89 | 0 | 6 | 0 | 50 | 481.003 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50665-1-O | Enterovirus (cluster #1 Of 1), Other | Other | 1970 | 0.23 | Functional ≤ 10μM |
| Z50666-1-O | Coxsackievirus (cluster #1 Of 1), Other | Other | 260 | 0.26 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50666 | Z50666 | Coxsackievirus | 260 | 0.26 | Functional ≤ 10μM |
| Z50665 | Z50665 | Enterovirus | 1970 | 0.23 | Functional ≤ 10μM |
