| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 13th, 2010 | 31 | Yes |
Popular Name: N-benzyl-N-(2-fluoroethyl)-2-(7-methyl-8-oxo-2-phenyl-purin-9-yl)acetamide N-benzyl-N-(2-fluoroethyl)-2-(7-…
| 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) | 2.76 | 13.46 | -18.08 | 0 | 7 | 0 | 73 | 419.46 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TSPO-1-E | Peripheral-type Benzodiazepine Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 1 | 0.41 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TSPO_RAT | P16257 | Peripheral-type Benzodiazepine Receptor, Rat | 0.51 | 0.42 | Binding ≤ 1μM |
| TSPO_RAT | P16257 | Peripheral-type Benzodiazepine Receptor, Rat | 0.51 | 0.42 | Binding ≤ 10μM |
