| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 6th, 2005 | 22 | Yes |
Popular Name: LS-53782 LS-53782
Find On: PubMed — Wikipedia — Google
CAS Numbers: 485-71-2 , [118-10-5]
| 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) | 3.03 | 8.2 | -42.22 | 2 | 3 | 1 | 38 | 295.406 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 3.03 | 8.64 | -90.26 | 3 | 3 | 2 | 39 | 296.414 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426-9-O | Plasmodium Falciparum (isolate K1 / Thailand) (cluster #9 Of 9), Other | Other | 56 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 56.2 | 0.46 | Functional ≤ 10μM |
