| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 29th, 2009 | 11 | 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) | -0.29 | 2.11 | -12.59 | 3 | 5 | 0 | 75 | 154.173 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50515-2-O | Human Herpesvirus 2 (cluster #2 Of 2), Other | Other | 3 | 1.08 | Functional ≤ 10μM |
| Z50527-3-O | Human Herpesvirus 3 (cluster #3 Of 3), Other | Other | 0 | 0.00 | Functional ≤ 10μM |
| Z50602-5-O | Human Herpesvirus 1 (cluster #5 Of 5), Other | Other | 3 | 1.08 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50602 | Z50602 | Human Herpesvirus 1 | 2.5974 | 1.09 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 2.5974 | 1.09 | Functional ≤ 10μM |
| Z50527 | Z50527 | Human Herpesvirus 3 | 0.324675 | 1.21 | Functional ≤ 10μM |
