In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 10th, 2009 | 19 | 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) | 3.31 | 9.57 | -29.78 | 3 | 3 | 1 | 38 | 252.341 | 4 | ↓ |
Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425-7-O | Plasmodium Falciparum (cluster #7 Of 22), Other | Other | 1700 | 0.43 | Functional ≤ 10μM |
Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 4900 | 0.39 | Functional ≤ 10μM |
Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
---|---|---|---|---|---|
Z50425 | Z50425 | Plasmodium Falciparum | 1700 | 0.43 | Functional ≤ 10μM |
Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 4900 | 0.39 | Functional ≤ 10μM |