| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 7th, 2004 | 22 | Yes |
Popular Name: (1S)-2-(4-benzylpiperidin-1-ium-1-yl)-1-phenyl-ethanol (1S)-2-(4-benzylpiperidin-1-ium-…
| 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) | 3.73 | 10.28 | -38.56 | 2 | 2 | 1 | 25 | 296.434 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 2133 | 0.36 | Binding ≤ 10μM |
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 3), Other | Other | 5000 | 0.34 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 2133 | 0.36 | Binding ≤ 10μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 5000 | 0.34 | Functional ≤ 10μM |
