| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 19th, 2005 | 19 | No |
Popular Name: 3-[(Z)-(2-ethyl-4-methyl-1H-imidazol-5-yl)methylidene]-1H-indol-2-one 3-[(Z)-(2-ethyl-4-methyl-1H-imid…
| 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) | 2.24 | -1.33 | -10.36 | 2 | 4 | 0 | 61 | 253.305 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALK-1-E | ALK Tyrosine Kinase Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.66 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ALK_HUMAN | Q9UM73 | ALK Tyrosine Kinase Receptor, Human | 1.38 | 0.65 | Binding ≤ 1μM |
| ALK_HUMAN | Q9UM73 | ALK Tyrosine Kinase Receptor, Human | 1.38 | 0.65 | Binding ≤ 10μM |
