| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 24th, 2010 | 34 | 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) | 1.78 | 5.69 | -15.83 | 2 | 8 | 0 | 101 | 480.952 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 8.12 | -52.61 | 3 | 8 | 1 | 102 | 481.96 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 1.78 | 6.26 | -48.14 | 3 | 8 | 1 | 102 | 481.96 | 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 | 350 | 0.27 | Binding ≤ 10μM |
| Z50527-1-O | Human Herpesvirus 3 (cluster #1 Of 3), Other | Other | 90 | 0.29 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 170 | 0.28 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 5400 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| DPOL_HHV1K | P04292 | DNA Polymerase Catalytic Subunit, Hhv1k | 350 | 0.27 | Binding ≤ 1μM |
| DPOL_HHV1K | P04292 | DNA Polymerase Catalytic Subunit, Hhv1k | 350 | 0.27 | Binding ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 5400 | 0.22 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 90 | 0.29 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 170 | 0.28 | Functional ≤ 10μM |
