| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 12th, 2010 | 18 | No |
| 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) | 0.23 | 8.78 | -29.52 | 1 | 2 | 1 | 20 | 233.294 | 0 | ↓ |
| 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 | 230 | 0.52 | Functional ≤ 10μM |
| Z50725-7-O | Trypanosoma Brucei Rhodesiense (cluster #7 Of 7), Other | Other | 6480 | 0.40 | Functional ≤ 10μM |
| Z81135-5-O | L6 (Skeletal Muscle Myoblast Cells) (cluster #5 Of 6), Other | Other | 4320 | 0.42 | ADME/T ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50426 | Z50426 | Plasmodium Falciparum (isolate K1 / Thailand) | 230 | 0.52 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 6480 | 0.40 | Functional ≤ 10μM |
| Z81135 | Z81135 | L6 (Skeletal Muscle Myoblast Cells) | 4320 | 0.42 | ADME/T ≤ 10μM |
