| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 26th, 2008 | 28 | Yes |
Popular Name: 1-(4-acetylpiperazin-1-yl)-2-[2-(4-chlorophenyl)imidazo[5,4-b]pyridin-3-yl]ethanone 1-(4-acetylpiperazin-1-yl)-2-[2-…
| 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) | 2.00 | 9.41 | -19.81 | 0 | 7 | 0 | 71 | 397.866 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 2.00 | 9.67 | -47.14 | 1 | 7 | 1 | 73 | 398.874 | 3 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301-1-O | GABA-A Receptor; Anion Channel (cluster #1 Of 8), Other | Other | 6400 | 0.26 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104301 | Z104301 | GABA-A Receptor; Anion Channel | 6400 | 0.26 | Binding ≤ 10μM |
