| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 14 | Yes |
Popular Name: 5-chloro-1-(2-hydroxyethoxymethyl)pyrimidine-2,4-quinone 5-chloro-1-(2-hydroxyethoxymethy…
| 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) | -0.76 | -4.94 | -15.02 | 2 | 6 | 0 | 84 | 220.612 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 4500 | 0.53 | Functional ≤ 10μM |
| Z50681-1-O | Duck Hepatitis B Virus (cluster #1 Of 2), Other | Other | 400 | 0.64 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50681 | Z50681 | Duck Hepatitis B Virus | 400 | 0.64 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 4500 | 0.53 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.