| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 12th, 2006 | 17 | 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) | -1.43 | -3.49 | -20.17 | 3 | 7 | 0 | 105 | 242.231 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Melting_Point | 186-190? | Alfa-Aesar |
| Melting_Point | 186-190° | Alfa-Aesar |
| PUBCHEM_PATENT_ID | EP0648220A1; US5721350; WO1993025566A1 | IBM Patent Data |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50681-1-O | Duck Hepatitis B Virus (cluster #1 Of 2), Other | Other | 4130 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50681 | Z50681 | Duck Hepatitis B Virus | 4130 | 0.44 | Functional ≤ 10μM |
