| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 21st, 2008 | 15 | No |
| 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) | -2.28 | 7.15 | -32.57 | 0 | 3 | 1 | 22 | 209.313 | 5 | ↓ |
| Lo Low (pH 4.5-6) | -2.28 | 7.43 | -82.75 | 1 | 3 | 2 | 23 | 210.321 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHD-3-E | Acetylcholine Receptor Protein Delta Chain (cluster #3 Of 3), Eukaryotic | Eukaryotes | 14 | 0.73 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 13.8 | 0.73 | Binding ≤ 1μM |
| ACHD_TORCA | P02718 | Acetylcholine Receptor Protein Delta Chain, Torca | 13.8 | 0.73 | Binding ≤ 10μM |
