| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 21 | No |
Popular Name: (3Z)-5-bromo-3-[2-oxo-2-(p-tolyl)ethylidene]indolin-2-one (3Z)-5-bromo-3-[2-oxo-2-(p-tolyl…
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| 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) | 3.92 | 9.85 | -13.51 | 1 | 3 | 0 | 50 | 342.192 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P90584-2-E | Protein Kinase Pfmrk (cluster #2 Of 2), Eukaryotic | Eukaryotes | 2900 | 0.37 | Binding ≤ 10μM |
| Z50425-3-O | Plasmodium Falciparum (cluster #3 Of 22), Other | Other | 3000 | 0.37 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| P90584_PLAFA | P90584 | Protein Kinase Pfmrk, Plafa | 2900 | 0.37 | Binding ≤ 10μM |
| Z50425 | Z50425 | Plasmodium Falciparum | 3000 | 0.37 | Functional ≤ 10μM |
