| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 22 | No |
Popular Name: DNC009084 DNC009084
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) | 2.35 | 7.76 | -14.48 | 0 | 5 | 0 | 58 | 299.326 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 2.35 | 8.22 | -49.65 | 1 | 5 | 1 | 59 | 300.334 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P90584-1-E | Protein Kinase Pfmrk (cluster #1 Of 2), Eukaryotic | Eukaryotes | 9000 | 0.32 | Binding ≤ 10μM |
| Z50425-11-O | Plasmodium Falciparum (cluster #11 Of 22), Other | Other | 3200 | 0.35 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P90584_PLAFA | P90584 | Protein Kinase Pfmrk, Plafa | 9000 | 0.32 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 2800 | 0.35 | Functional ≤ 10μM |
