| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 7th, 2009 | 22 | No |
Popular Name: [(2R,5S)-5-(4-amino-2-oxo-pyrimidin-1-yl)-1,3-oxathiolan-2-yl]methyl [(2R,5S)-5-(4-amino-2-oxo-pyrimi…
| 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) | -1.54 | 0.62 | -63.7 | 5 | 9 | 1 | 133 | 331.374 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80295-2-O | MT4 (Lymphocytes) (cluster #2 Of 8), Other | Other | 300 | 0.42 | Functional ≤ 10μM |
| Z81020-1-O | HepG2 (Hepatoblastoma Cells) (cluster #1 Of 8), Other | Other | 500 | 0.40 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z81020 | Z81020 | HepG2 (Hepatoblastoma Cells) | 500 | 0.40 | Functional ≤ 10μM |
| Z80295 | Z80295 | MT4 (Lymphocytes) | 300 | 0.42 | Functional ≤ 10μM |
