| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 14 | Yes |
Popular Name: 1-(2-Hydroxyethoxy)methyl-5-bromouracil 1-(2-Hydroxyethoxy)methyl-5-brom…
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CAS Number: 78097-11-7
| 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) | -0.63 | -5.54 | -14.83 | 2 | 6 | 0 | 84 | 265.063 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50606-1-O | Hepatitis B Virus (cluster #1 Of 3), Other | Other | 3700 | 0.54 | Functional ≤ 10μM |
| Z50681-1-O | Duck Hepatitis B Virus (cluster #1 Of 2), Other | Other | 3700 | 0.54 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50681 | Z50681 | Duck Hepatitis B Virus | 3700 | 0.54 | Functional ≤ 10μM |
| Z50606 | Z50606 | Hepatitis B Virus | 3700 | 0.54 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.