| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 25 | Yes |
Popular Name: 2-butoxy-9-[(2,6-difluoro-3-methyl-phenyl)methyl]purin-6-amine 2-butoxy-9-[(2,6-difluoro-3-meth…
| 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) | 4.35 | 7.64 | -11.31 | 2 | 6 | 0 | 79 | 347.369 | 6 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MURI-1-B | Glutamate Racemase (cluster #1 Of 2), Bacterial | Bacteria | 9800 | 0.28 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| MURI_ENTFA | Q836J0 | Glutamate Racemase, Entfa | 9800 | 0.28 | Binding ≤ 10μM |
