| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 23rd, 2008 | 24 | Yes |
Popular Name: 4-(4-chlorophenyl)-2-oxo-1,5-dihydro-2H-chromeno[4,3-b]pyridine-3-carbonitrile 4-(4-chlorophenyl)-2-oxo-1,5-dih…
| 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) | 4.13 | 8.38 | -13.79 | 1 | 4 | 0 | 66 | 334.762 | 1 | ↓ |
| Mid Mid (pH 6-8) | 4.59 | 6.47 | -47.64 | 0 | 4 | -1 | 69 | 333.754 | 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 | 920 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 920 | 0.35 | Binding ≤ 1μM |
| PIM1_HUMAN | P11309 | Serine/threonine-protein Kinase PIM1, Human | 920 | 0.35 | Binding ≤ 10μM |
