| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 6th, 2010 | 34 | No |
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) | 4.89 | 9.66 | -14.09 | 2 | 5 | 0 | 63 | 452.554 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| M3K9-1-E | Mitogen-activated Protein Kinase Kinase Kinase 9 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 49 | 0.30 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| M3K9_HUMAN | P80192 | Mitogen-activated Protein Kinase Kinase Kinase 9, Human | 345 | 0.27 | Binding ≤ 1μM |
| M3K9_HUMAN | P80192 | Mitogen-activated Protein Kinase Kinase Kinase 9, Human | 345 | 0.27 | Binding ≤ 10μM |
