| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 16th, 2008 | 16 | Yes |
Popular Name: 5-fluoro-1-[(2S,5S)-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-imino-pyrimidin-2-one 5-fluoro-1-[(2S,5S)-5-(hydroxyme…
| 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) | -0.64 | -2.71 | -14.14 | 3 | 6 | 0 | 90 | 229.211 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064-1-O | CCRF-CEM (T-cell Leukemia) (cluster #1 Of 9), Other | Other | 2000 | 0.50 | Functional ≤ 10μM |
| Z80874-1-O | CEM (T-cell Leukemia) (cluster #1 Of 7), Other | Other | 100 | 0.61 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z80064 | Z80064 | CCRF-CEM (T-cell Leukemia) | 2000 | 0.50 | Functional ≤ 10μM |
| Z80874 | Z80874 | CEM (T-cell Leukemia) | 100 | 0.61 | Functional ≤ 10μM |
