| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 3rd, 2008 | 34 | Yes |
Popular Name: 4-(4-benzhydrylpiperazin-1-yl)-1-phenyl-pyrazolo[4,5-e]pyrimidine 4-(4-benzhydrylpiperazin-1-yl)-1…
| 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) | 4.66 | 14.62 | -9.49 | 0 | 6 | 0 | 50 | 446.558 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50665-1-O | Enterovirus (cluster #1 Of 1), Other | Other | 520 | 0.26 | Functional ≤ 10μM |
| Z50666-1-O | Coxsackievirus (cluster #1 Of 1), Other | Other | 940 | 0.25 | Functional ≤ 10μM |
| Z50731-1-O | Echovirus (cluster #1 Of 1), Other | Other | 300 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50666 | Z50666 | Coxsackievirus | 150 | 0.28 | Functional ≤ 10μM |
| Z50731 | Z50731 | Echovirus | 300 | 0.27 | Functional ≤ 10μM |
| Z50665 | Z50665 | Enterovirus | 180 | 0.28 | Functional ≤ 10μM |
