| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 4th, 2011 | 24 | 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) | 3.99 | 9.2 | -36.56 | 5 | 3 | 1 | 67 | 312.396 | 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 | 858 | 0.35 | Functional ≤ 10μM |
| Z50725-7-O | Trypanosoma Brucei Rhodesiense (cluster #7 Of 7), Other | Other | 8723 | 0.30 | Functional ≤ 10μM |
| Z81135-5-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #5 Of 6), Other | Other | 8400 | 0.30 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 858 | 0.35 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 8723 | 0.30 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 8400 | 0.30 | ADME/T ≤ 10μM |
