| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 1st, 2006 | 18 | Yes |
Popular Name: Bisdesethyl chloroquine Bisdesethyl chloroquine
Find On: PubMed — Wikipedia — Google
CAS Number: 4298-14-0
| 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 | -3.59 | -89.89 | 5 | 3 | 2 | 53 | 265.788 | 5 | ↓ |
| 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 | 1338 | 0.46 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 1338 | 0.46 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.