| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 5th, 2010 | 44 | No |
Popular Name: 6,6'-dimethoxy-2,2'-dimethyloxyacanthan-7,12'-diol; nsc93674 6,6'-dimethoxy-2,2'-dimethyloxya…
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) | 5.96 | 8.64 | -13.26 | 2 | 8 | 0 | 84 | 594.708 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.96 | 9.56 | -60.35 | 1 | 8 | -1 | 87 | 593.7 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.96 | 11.73 | -53.16 | 3 | 8 | 1 | 85 | 595.716 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 5.96 | 11.41 | -48.27 | 3 | 8 | 1 | 85 | 595.716 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 29 | 0.24 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 105 | 0.22 | Functional ≤ 10μM |
