| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 45 | No |
Popular Name: trimethoxy(dimethyl)BLAHol trimethoxy(dimethyl)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) | 6.24 | 10.42 | -12.15 | 1 | 8 | 0 | 73 | 608.735 | 3 | ↓ |
| Hi High (pH 8-9.5) | 6.24 | 11.31 | -59.08 | 0 | 8 | -1 | 76 | 607.727 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 6.24 | 16.24 | -94.33 | 3 | 8 | 2 | 75 | 610.751 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 6.24 | 13.69 | -48.89 | 2 | 8 | 1 | 74 | 609.743 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 67 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 42 | 0.23 | Functional ≤ 10μM |
