| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 44 | No |
Popular Name: dimethoxy(methyl)BLAHdiol dimethoxy(methyl)BLAHdiol
| 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) | 5.62 | 11.2 | -50.2 | 4 | 8 | 1 | 94 | 595.716 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.62 | 8.94 | -12.09 | 3 | 8 | 0 | 93 | 594.708 | 2 | ↓ |
| Hi High (pH 8-9.5) | 5.62 | 9.69 | -61.22 | 2 | 8 | -1 | 95 | 593.7 | 2 | ↓ |
| Mid Mid (pH 6-8) | 5.62 | 12.4 | -100.56 | 5 | 8 | 2 | 98 | 596.724 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 348 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 199 | 0.21 | Functional ≤ 10μM |
