| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 8th, 2004 | 19 | 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) | 1.85 | -2.54 | -53.59 | 0 | 4 | -1 | 74 | 275.305 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VE1-1-V | Replication Protein E1 (cluster #1 Of 1), Viral | Viruses | 2000 | 0.42 | Binding ≤ 10μM |
| VE1-1-V | Replication Protein E1 (cluster #1 Of 1), Viral | Viruses | 2000 | 0.42 | Functional ≤ 10μM |
| Z50626-1-O | Human Papillomavirus (cluster #1 Of 1), Other | Other | 2000 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| VE1_HPV11 | P04014 | Replication Protein E1, Hpv11 | 2000 | 0.42 | Binding ≤ 10μM |
| Z50626 | Z50626 | Human Papillomavirus | 2000 | 0.42 | Functional ≤ 10μM |
| VE1_HPV11 | P04014 | Replication Protein E1, Hpv11 | 2000 | 0.42 | Functional ≤ 10μM |
