| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 19th, 2008 | 13 | Yes |
Popular Name: (+/-)-6-Methylnicotine (+/-)-6-Methylnicotine
Find On: PubMed — Wikipedia — Google
CAS Number: 101540-79-8
| 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) | 1.14 | 6.49 | -34.51 | 1 | 2 | 1 | 17 | 177.271 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 1.14 | 6.76 | -89.83 | 2 | 2 | 2 | 19 | 178.279 | 1 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACH10-2-E | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #2 Of 4), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHA-4-E | Acetylcholine Receptor Protein Alpha Chain (cluster #4 Of 4), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHA2-4-E | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit (cluster #4 Of 6), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHA3-4-E | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit (cluster #4 Of 5), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHA4-1-E | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit (cluster #1 Of 5), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHA5-4-E | Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit (cluster #4 Of 4), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHA6-4-E | Neuronal Acetylcholine Receptor Subunit Alpha-6 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHA7-1-E | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit (cluster #1 Of 6), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHA9-4-E | Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit (cluster #4 Of 4), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHB-1-E | Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHB2-4-E | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit (cluster #4 Of 7), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHB3-4-E | Neuronal Acetylcholine Receptor Subunit Beta-3 (cluster #4 Of 4), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHB4-5-E | Neuronal Acetylcholine Receptor Subunit Beta-4 (cluster #5 Of 7), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| ACHD-1-E | Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 2 | 0.94 | Binding ≤ 10μM |
| Z104290-1-O | Neuronal Acetylcholine Receptor; Alpha4/beta2 (cluster #1 Of 4), Other | Other | 2 | 0.94 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA_RAT | P25108 | Acetylcholine Receptor Protein Alpha Chain, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHB_RAT | P25109 | Acetylcholine Receptor Protein Beta Chain, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 1.8 | 0.94 | Binding ≤ 1μM |
| ACH10_RAT | Q9JLB5 | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHA2_RAT | P12389 | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHA3_RAT | P04757 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHA4_RAT | P09483 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHA5_RAT | P20420 | Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHA6_RAT | P43143 | Neuronal Acetylcholine Receptor Protein Alpha-6 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHA9_RAT | P43144 | Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHB2_RAT | P12390 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHB3_RAT | P12391 | Neuronal Acetylcholine Receptor Protein Beta-3 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHB4_RAT | P12392 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 1μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 1.8 | 0.94 | Binding ≤ 1μM |
| ACHA_RAT | P25108 | Acetylcholine Receptor Protein Alpha Chain, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHB_RAT | P25109 | Acetylcholine Receptor Protein Beta Chain, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 1.8 | 0.94 | Binding ≤ 10μM |
| ACH10_RAT | Q9JLB5 | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHA2_RAT | P12389 | Neuronal Acetylcholine Receptor Protein Alpha-2 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHA3_RAT | P04757 | Neuronal Acetylcholine Receptor Protein Alpha-3 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHA4_RAT | P09483 | Neuronal Acetylcholine Receptor Protein Alpha-4 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHA5_RAT | P20420 | Neuronal Acetylcholine Receptor Protein Alpha-5 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHA6_RAT | P43143 | Neuronal Acetylcholine Receptor Protein Alpha-6 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHA7_RAT | Q05941 | Neuronal Acetylcholine Receptor Protein Alpha-7 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHA9_RAT | P43144 | Neuronal Acetylcholine Receptor Protein Alpha-9 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHB2_RAT | P12390 | Neuronal Acetylcholine Receptor Protein Beta-2 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHB3_RAT | P12391 | Neuronal Acetylcholine Receptor Protein Beta-3 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| ACHB4_RAT | P12392 | Neuronal Acetylcholine Receptor Protein Beta-4 Subunit, Rat | 1.8 | 0.94 | Binding ≤ 10μM |
| Z104290 | Z104290 | Neuronal Acetylcholine Receptor; Alpha4/beta2 | 1.8 | 0.94 | Binding ≤ 10μM |
| Description | Species |
|---|---|
| Highly calcium permeable nicotinic acetylcholine receptors | |
| Highly calcium permeable postsynaptic nicotinic acetylcholine receptors | |
| Highly sodium permeable acetylcholine nicotinic receptors |
No pre-computed analogs available. Try a structural similarity search.