| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 17 | No |
| 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) | -0.51 | -3.18 | -12.38 | 2 | 6 | 0 | 84 | 242.206 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 4100 | 0.44 | Functional ≤ 10μM |
| Z50681-1-O | Duck Hepatitis B Virus (cluster #1 Of 2), Other | Other | 200 | 0.55 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50681 | Z50681 | Duck Hepatitis B Virus | 200 | 0.55 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 2000 | 0.47 | Functional ≤ 10μM |
