| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 30 | No |
Popular Name: 6-[(4R)-5-ethoxycarbonyl-6-methyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydropyrimidin-1-yl]hexanoic 6-[(4R)-5-ethoxycarbonyl-6-methy…
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| 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) | 3.90 | 11.61 | -52.19 | 1 | 10 | -1 | 145 | 418.426 | 11 | ↓ |
| Lo Low (pH 4.5-6) | 3.90 | 9.64 | -15.55 | 2 | 10 | 0 | 142 | 419.434 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 1600 | 0.27 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 1600 | 0.27 | Functional ≤ 10μM |
