| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| March 10th, 2009 | 15 | 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) | 1.60 | 5.42 | -22.24 | 5 | 4 | 0 | 69 | 207.301 | 4 | ↓ |
| Hi High (pH 8-9.5) | 1.73 | 5.86 | -29.19 | 5 | 4 | 1 | 67 | 207.301 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.73 | 5.97 | -19.11 | 6 | 4 | 0 | 68 | 208.309 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425-7-O | Plasmodium Falciparum (cluster #7 Of 22), Other | Other | 5700 | 0.49 | Functional ≤ 10μM |
| Z50725-1-O | Trypanosoma Brucei Rhodesiense (cluster #1 Of 7), Other | Other | 2400 | 0.52 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50425 | Z50425 | Plasmodium Falciparum | 5700 | 0.49 | Functional ≤ 10μM |
| Z50725 | Z50725 | Trypanosoma Brucei Rhodesiense | 2400 | 0.52 | Functional ≤ 10μM |
