| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| January 15th, 2010 | 21 | Yes |
Popular Name: 2-Methyl-5-(6-phenylpyridazin-3-yl)octahydropyrrolo[3,4-c]pyrrole 2-Methyl-5-(6-phenylpyridazin-3-…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 848591-89-9 , [848591-89-9]
| 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) | 3.02 | 9.27 | -45.82 | 1 | 4 | 1 | 33 | 281.383 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 3.02 | 9.36 | -88.52 | 2 | 4 | 2 | 35 | 282.391 | 2 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| Purity | 95% | Fluorochem |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7-5-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #5 Of 6), Eukaryotic | Eukaryotes | 11 | 0.53 | Binding ≤ 10μM |
| ACHA7-1-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 4260 | 0.36 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 10.8 | 0.53 | Binding ≤ 1μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 10.8 | 0.53 | Binding ≤ 10μM |
| ACHA7_HUMAN | P36544 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Human | 4260 | 0.36 | Functional ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors |
