| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 14th, 2009 | 31 | Yes |
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) | 4.29 | 10.47 | -88.99 | 3 | 5 | 2 | 33 | 434.713 | 15 | ↓ |
| Hi High (pH 8-9.5) | 4.29 | 9.26 | -45.45 | 2 | 5 | 1 | 36 | 433.705 | 15 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 13.22 | -176.62 | 4 | 5 | 3 | 38 | 435.721 | 15 | ↓ |
| Mid Mid (pH 6-8) | 4.29 | 10.9 | -88.37 | 3 | 5 | 2 | 37 | 434.713 | 15 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 111 | 0.31 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 111 | 0.31 | Functional ≤ 10μM |
