| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 4th, 2009 | 20 | Yes |
Popular Name: (3aS,6aR)-2-(6-phenylpyridazin-3-yl)-3,3a,4,5,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole (3aS,6aR)-2-(6-phenylpyridazin-3…
| 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) | 2.77 | 7.11 | -52.68 | 2 | 4 | 1 | 46 | 267.356 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 7.25 | -92.23 | 3 | 4 | 2 | 47 | 268.364 | 2 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA4-1-E | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic | Eukaryotes | 5320 | 0.37 | Binding ≤ 10μM |
| ACHA7-5-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic | Eukaryotes | 18 | 0.54 | Binding ≤ 10μM |
| ACHA7-1-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 1150 | 0.42 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 17.5 | 0.54 | Binding ≤ 1μM |
| ACHA4_RAT | P09483 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat | 5320 | 0.37 | Binding ≤ 10μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 17.5 | 0.54 | Binding ≤ 10μM |
| ACHA7_HUMAN | P36544 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human | 1150 | 0.42 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors |
