| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 15th, 2009 | 24 | No |
Popular Name: 1,5-dibromo-2,3,4,6,7,8-hexahydroxy-anthracene-9,10-dione 1,5-dibromo-2,3,4,6,7,8-hexahydr…
| 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) | 3.49 | -0.4 | -105.43 | 4 | 8 | -2 | 161 | 459.986 | 0 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | -1.22 | -63.91 | 5 | 8 | -1 | 158 | 460.994 | 0 | ↓ |
| Mid Mid (pH 6-8) | 3.49 | -0.64 | -95.27 | 4 | 8 | -2 | 161 | 459.986 | 0 | ↓ |
| Lo Low (pH 4.5-6) | 3.49 | -2.04 | -31.02 | 6 | 8 | 0 | 156 | 462.002 | 0 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 5000 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 5000 | 0.31 | Functional ≤ 10μM |
