| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 25th, 2008 | 25 | Yes |
Popular Name: 2-[6-chloro-2-(4-chlorophenyl)imidazo[3,2-a]pyridin-3-yl]-1-pyrrolidin-1-yl-ethanone 2-[6-chloro-2-(4-chlorophenyl)im…
| 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) | 4.45 | 11.34 | -12.71 | 0 | 4 | 0 | 38 | 374.271 | 3 | ↓ |
| Mid Mid (pH 6-8) | 4.45 | 11.79 | -32.27 | 1 | 4 | 1 | 39 | 375.279 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TSPO-1-E | Peripheral-type Benzodiazepine Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 287 | 0.37 | Binding ≤ 10μM |
| Z104301-1-O | GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other | Other | 92 | 0.39 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 92 | 0.39 | Binding ≤ 1μM |
| TSPO_RAT | P16257 | Peripheral-type Benzodiazepine Receptor, Rat | 287 | 0.37 | Binding ≤ 1μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 92 | 0.39 | Binding ≤ 10μM |
| TSPO_RAT | P16257 | Peripheral-type Benzodiazepine Receptor, Rat | 287 | 0.37 | Binding ≤ 10μM |
