| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2008 | 22 | Yes |
Popular Name: 2-amino-6-(4-oxo-1-cyclohexa-2,5-dienylidene)-4-phenyl-1H-pyridine-3-carbonitrile 2-amino-6-(4-oxo-1-cyclohexa-2,5…
| 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) | 3.36 | 6.04 | -8.56 | 3 | 4 | 0 | 83 | 287.322 | 2 | ↓ |
| Ref Reference (pH 7) | 3.41 | 7.57 | -44.45 | 3 | 4 | 0 | 83 | 287.322 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1-1-E | Serine/threonine-protein Kinase PIM1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 4410 | 0.34 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 4410 | 0.34 | Binding ≤ 10μM |
