| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 6th, 2009 | 18 | Yes |
Popular Name: (2S)-1-methyl-2-[[2-(trifluoromethyl)phenoxy]methyl]pyrrolidine (2S)-1-methyl-2-[[2-(trifluorome…
| 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) | 3.26 | 8.21 | -33.23 | 1 | 2 | 1 | 14 | 260.279 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.26 | 5.75 | -6.14 | 0 | 2 | 0 | 12 | 259.271 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACH10-1-E | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit (cluster #1 Of 4), Eukaryotic | Eukaryotes | 2433 | 0.44 | Binding ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| ACH10_RAT | Q9JLB5 | Neuronal Acetylcholine Receptor Protein Alpha-10 Subunit, Rat | 2433 | 0.44 | Binding ≤ 10μM |
