| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 1st, 2008 | 20 | 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) | 3.47 | 9.17 | -13.69 | 1 | 3 | 0 | 50 | 328.165 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P90584-2-E | Protein Kinase Pfmrk (cluster #2 Of 2), Eukaryotic | Eukaryotes | 3100 | 0.39 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3000 | 0.39 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P90584_PLAFA | P90584 | Protein Kinase Pfmrk, Plafa | 3100 | 0.39 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3000 | 0.39 | Functional ≤ 10μM |
