| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 44 | No |
Popular Name: trimethoxy(methyl)BLAHol trimethoxy(methyl)BLAHol
| 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) | 6.03 | 8.99 | -13.85 | 2 | 8 | 0 | 82 | 594.708 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 6.03 | 12.24 | -53.08 | 3 | 8 | 1 | 83 | 595.716 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 6.03 | 14.16 | -101.07 | 4 | 8 | 2 | 87 | 596.724 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 210 | 0.21 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 115 | 0.22 | Functional ≤ 10μM |
