| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 5th, 2006 | 26 | 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) | 4.19 | 0.67 | -11.9 | 0 | 6 | 0 | 63 | 348.31 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50529-1-O | Cytomegalovirus (cluster #1 Of 2), Other | Other | 7300 | 0.28 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 7300 | 0.28 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 2000 | 0.31 | Functional ≤ 10μM |
| Z50606-2-O | Hepatitis B Virus (cluster #2 Of 3), Other | Other | 160 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50529 | Z50529 | Cytomegalovirus | 7300 | 0.28 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 160 | 0.37 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 2000 | 0.31 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 7300 | 0.28 | Functional ≤ 10μM |
