| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 16th, 2008 | 35 | Yes |
Popular Name: 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOXY)METHYL]TETRAHYDROFURAN-2-YL}PYRIMIDINE-2,4(1H,3H)-DIONE 1-{(2S,5S)-4-FLUORO-5-[(TRITYLOX…
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) | 4.26 | 10.86 | -15.27 | 1 | 6 | 0 | 73 | 472.516 | 7 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| ALOGPS_SOLUBILITY | 1.17e-03 g/l | DrugBank-experimental |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8II92-1-E | DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.21 | Binding ≤ 10μM |
| Q8II92-1-E | DUTP Pyrophosphatase (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5000 | 0.21 | Binding ≤ 10μM |
| Z50425-16-O | Plasmodium Falciparum (cluster #16 Of 22), Other | Other | 2000 | 0.23 | Functional ≤ 10μM |
| Z50425-16-O | Plasmodium Falciparum (cluster #16 Of 22), Other | Other | 2000 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q8II92_PLAF7 | Q8II92 | DUTP Pyrophosphatase, Plaf7 | 5000 | 0.21 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2000 | 0.23 | Functional ≤ 10μM |
