| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 35 | Yes |
Popular Name: 1-[(2R,4S,5S)-4-hydroxy-5-[(tritylamino)methyl]tetrahydrofuran-2-yl]pyrimidine-2,4-dione 1-[(2R,4S,5S)-4-hydroxy-5-[(trit…
None
| 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) | 3.13 | 7.49 | -50.82 | 4 | 7 | 1 | 101 | 470.549 | 7 | ↓ |
| Mid Mid (pH 6-8) | 3.13 | 6.68 | -15.53 | 3 | 7 | 0 | 96 | 469.541 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8II92-1-E | DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 200 | 0.27 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 4500 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8II92_PLAF7 | Q8II92 | DUTP Pyrophosphatase, Plaf7 | 200 | 0.27 | Binding ≤ 1μM |
| Q8II92_PLAF7 | Q8II92 | DUTP Pyrophosphatase, Plaf7 | 200 | 0.27 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 4500 | 0.21 | Functional ≤ 10μM |
