| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2004 | 30 | No |
Popular Name: (2,3-dihydroxybenzyl)-[6-[(2,3-dihydroxybenzyl)-dimethyl-ammonio]hexyl]-dimethyl-ammonium (2,3-dihydroxybenzyl)-[6-[(2,3-d…
| 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) | -4.31 | 8.55 | -85.92 | 4 | 6 | 2 | 81 | 418.578 | 11 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA-2-E | Acetylcholine Receptor Protein Alpha Chain (cluster #2 Of 4), Eukaryotic | Eukaryotes | 18 | 0.36 | Binding ≤ 10μM |
| ACHB-1-E | Acetylcholine Receptor Protein Beta Chain (cluster #1 Of 4), Eukaryotic | Eukaryotes | 18 | 0.36 | Binding ≤ 10μM |
| ACHD-1-E | Acetylcholine Receptor Protein Delta Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 18 | 0.36 | Binding ≤ 10μM |
| ACHG-1-E | Acetylcholine Receptor Protein Gamma Chain (cluster #1 Of 3), Eukaryotic | Eukaryotes | 18 | 0.36 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHA_TORCA | P02710 | Acetylcholine Receptor Protein Alpha Chain, Torca | 18 | 0.36 | Binding ≤ 1μM |
| ACHB_TORCA | P02712 | Acetylcholine Receptor Protein Beta Chain, Torca | 18 | 0.36 | Binding ≤ 1μM |
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 18 | 0.36 | Binding ≤ 1μM |
| ACHG_TORCA | P02714 | Acetylcholine Receptor Protein Gamma Chain, Torca | 18 | 0.36 | Binding ≤ 1μM |
| ACHA_TORCA | P02710 | Acetylcholine Receptor Protein Alpha Chain, Torca | 18 | 0.36 | Binding ≤ 10μM |
| ACHB_TORCA | P02712 | Acetylcholine Receptor Protein Beta Chain, Torca | 18 | 0.36 | Binding ≤ 10μM |
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 18 | 0.36 | Binding ≤ 10μM |
| ACHG_TORCA | P02714 | Acetylcholine Receptor Protein Gamma Chain, Torca | 18 | 0.36 | Binding ≤ 10μM |
