| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 26th, 2005 | 17 | No |
Popular Name: 5-bromo-1-[4-hydroxy-5-(hydroxymethyl)tetrahydrothiophen-2-yl]-pyrimidine-2,4-dione 5-bromo-1-[4-hydroxy-5-(hydroxym…
| 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) | -0.53 | -7.95 | -14.33 | 3 | 6 | 0 | 95 | 323.168 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50515-1-O | Human Herpesvirus 2 (cluster #1 Of 2), Other | Other | 4800 | 0.44 | Functional ≤ 10μM |
| Z50530-1-O | Human Herpesvirus 5 (cluster #1 Of 5), Other | Other | 440 | 0.52 | Functional ≤ 10μM |
| Z50599-1-O | Cowpox Virus (cluster #1 Of 1), Other | Other | 50 | 0.60 | Functional ≤ 10μM |
| Z50600-1-O | Vaccinia Virus (cluster #1 Of 2), Other | Other | 90 | 0.58 | Functional ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 5300 | 0.43 | Functional ≤ 10μM |
| Z80954-1-O | HFF (Foreskin Fibroblasts) (cluster #1 Of 1), Other | Other | 200 | 0.55 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50599 | Z50599 | Cowpox Virus | 50 | 0.60 | Functional ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 5300 | 0.43 | Functional ≤ 10μM |
| Z50515 | Z50515 | Human Herpesvirus 2 | 4800 | 0.44 | Functional ≤ 10μM |
| Z50530 | Z50530 | Human Herpesvirus 5 | 440 | 0.52 | Functional ≤ 10μM |
| Z50600 | Z50600 | Vaccinia Virus | 90 | 0.58 | Functional ≤ 10μM |
| Z80954 | Z80954 | HFF (Foreskin Fibroblasts) | 200 | 0.55 | ADME/T ≤ 10μM |
