| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2005 | 18 | Yes |
Popular Name: Edoxudine Edoxudine
Find On: PubMed — Wikipedia — Google
CAS Numbers: 15176-29-1 , [15176-29-1]
| 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) | -0.97 | -3.02 | -16.67 | 3 | 7 | 0 | 105 | 256.258 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3RLP8-1-V | Thymidine Kinase (cluster #1 Of 1), Viral | Viruses | 150 | 0.53 | Binding ≤ 10μM |
| Z50602-2-O | Human Herpesvirus 1 (cluster #2 Of 5), Other | Other | 2100 | 0.44 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| A3RLP8_CHV1 | A3RLP8 | Thymidine Kinase, Chv1 | 150 | 0.53 | Binding ≤ 1μM |
| A3RLP8_CHV1 | A3RLP8 | Thymidine Kinase, Chv1 | 150 | 0.53 | Binding ≤ 10μM |
| Z50602 | Z50602 | Human Herpesvirus 1 | 2100 | 0.44 | Functional ≤ 10μM |
