| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 20th, 2008 | 16 | Yes |
Popular Name: (1R,5S)-3-(6-chloropyridazin-3-yl)-8-methyl-3,8-diazabicyclo[3.2.1]octane (1R,5S)-3-(6-chloropyridazin-3-y…
| 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) | 1.92 | 6.52 | -43.53 | 1 | 4 | 1 | 33 | 239.73 | 1 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 3.17 | -5.93 | 0 | 4 | 0 | 32 | 238.722 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 5.61 | -95.29 | 2 | 4 | 2 | 35 | 240.738 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7-1-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 39 | 0.65 | Binding ≤ 10μM |
| ACHB4-6-E | Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #6 Of 7), Eukaryotic | Eukaryotes | 39 | 0.65 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 39 | 0.65 | Binding ≤ 1μM |
| ACHB4_RAT | P12392 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat | 39 | 0.65 | Binding ≤ 1μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 39 | 0.65 | Binding ≤ 10μM |
| ACHB4_RAT | P12392 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat | 39 | 0.65 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable nicotinic acetylcholine receptors | |
| Highly sodium permeable acetylcholine nicotinic receptors |
