| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 24th, 2008 | 25 | Yes |
Popular Name: 1-[(1S,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]-4-(p-tolyl)piperidin-4-ol 1-[(1S,2S)-2-hydroxy-2-(4-hydrox…
| 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) | 2.88 | 5.34 | -36.89 | 4 | 4 | 1 | 65 | 342.459 | 4 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304-1-O | Adrenergic Receptor Alpha-1 (cluster #1 Of 3), Other | Other | 2166 | 0.32 | Binding ≤ 10μM |
| Z104302-1-O | Glutamate NMDA Receptor (cluster #1 Of 3), Other | Other | 3 | 0.48 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z104304 | Z104304 | Adrenergic Receptor Alpha-1 | 2166 | 0.32 | Binding ≤ 10μM |
| Z104302 | Z104302 | Glutamate NMDA Receptor | 2.7 | 0.48 | Functional ≤ 10μM |
