| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 22nd, 2008 | 29 | Yes |
Popular Name: N,N-dibutyl-2-[6-chloro-2-(4-chlorophenyl)imidazo[3,2-a]pyridin-3-yl]acetamide N,N-dibutyl-2-[6-chloro-2-(4-chl…
| 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) | 6.93 | 15.09 | -11.54 | 0 | 4 | 0 | 38 | 432.395 | 9 | ↓ |
| Mid Mid (pH 6-8) | 6.93 | 15.54 | -31.63 | 1 | 4 | 1 | 39 | 433.403 | 9 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| TSPO-1-E | Peripheral-type Benzodiazepine Receptor (cluster #1 Of 1), Eukaryotic | Eukaryotes | 5 | 0.40 | Binding ≤ 10μM |
| Z104301-1-O | GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other | Other | 69 | 0.35 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 68.9 | 0.35 | Binding ≤ 1μM |
| TSPO_RAT | P16257 | Peripheral-type Benzodiazepine Receptor, Rat | 1.685 | 0.42 | Binding ≤ 1μM |
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 68.9 | 0.35 | Binding ≤ 10μM |
| TSPO_RAT | P16257 | Peripheral-type Benzodiazepine Receptor, Rat | 1.685 | 0.42 | Binding ≤ 10μM |
