| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 24th, 2009 | 33 | Yes |
| 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) | 2.21 | 5.74 | -16.15 | 2 | 8 | 0 | 101 | 469.925 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.21 | 8.15 | -55.9 | 3 | 8 | 1 | 102 | 470.933 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPOL-4-V | Human Herpesvirus 6 DNA Polymerase (cluster #4 Of 4), Viral | Viruses | 220 | 0.28 | Binding ≤ 10μM |
| Z50518-3-O | Human Herpesvirus 4 (cluster #3 Of 5), Other | Other | 400 | 0.27 | Functional ≤ 10μM |
| Z50527-1-O | Human Herpesvirus 3 (cluster #1 Of 3), Other | Other | 20 | 0.33 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 26 | 0.32 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 4300 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPOL_HHV1K | P04292 | DNA Polymerase Catalytic Subunit, Hhv1k | 220 | 0.28 | Binding ≤ 1μM |
| DPOL_HHV1K | P04292 | DNA Polymerase Catalytic Subunit, Hhv1k | 220 | 0.28 | Binding ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 4300 | 0.23 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 20 | 0.33 | Functional ≤ 10μM |
| Z50518 | Z50518 | Human Herpesvirus 4 | 400 | 0.27 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 26 | 0.32 | Functional ≤ 10μM |
