| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 11th, 2011 | 24 | Yes |
Popular Name: 1-isopropyl-3-(1-naphthylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine 1-isopropyl-3-(1-naphthylmethyl)…
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) | 3.79 | 10.46 | -10.25 | 2 | 5 | 0 | 70 | 317.396 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9BJF5-1-E | Calmodulin-domain Protein Kinase 1 (cluster #1 Of 1), Eukaryotic | Eukaryotes | 130 | 0.40 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Q9BJF5_TOXGO | Q9BJF5 | Calmodulin-domain Protein Kinase 1, Toxgo | 130 | 0.40 | Binding ≤ 1μM |
| Q9BJF5_TOXGO | Q9BJF5 | Calmodulin-domain Protein Kinase 1, Toxgo | 130 | 0.40 | Binding ≤ 10μM |
