| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 29th, 2005 | 24 | Yes |
Popular Name: 3-(4-chlorophenyl)-5-(2,6-dichlorophenyl)-2,6,7,9-tetrazabicyclo[4.3.0]nona-7,9-diene 3-(4-chlorophenyl)-5-(2,6-dichlo…
| 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) | 4.87 | 11.7 | -10.71 | 1 | 4 | 0 | 43 | 379.678 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.05 | 12.48 | -30.15 | 2 | 4 | 1 | 48 | 380.686 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.05 | 11.11 | -41.38 | 2 | 4 | 1 | 47 | 380.686 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 4700 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606 | Z50606 | Hepatitis B Virus | 4700 | 0.31 | Functional ≤ 10μM |
