| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 9th, 2010 | 25 | Yes |
Popular Name: 5-chloro-2-[2-[[(4-chlorophenyl)methylamino]methyl]phenoxy]phenol 5-chloro-2-[2-[[(4-chlorophenyl)…
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) | 5.44 | 10.04 | -47.65 | 3 | 3 | 1 | 46 | 375.275 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.44 | 10.94 | -49.95 | 2 | 3 | 0 | 49 | 374.267 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.44 | 9.57 | -43.12 | 1 | 3 | -1 | 44 | 373.259 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 330 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 300 | 0.37 | Functional ≤ 10μM |
