| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| February 17th, 2009 | 24 | Yes |
Popular Name: 1-(4-fluorophenyl)-3-[4-(4-fluorophenyl)-1-piperidyl]propan-1-one 1-(4-fluorophenyl)-3-[4-(4-fluor…
| 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) | 4.56 | 12.48 | -54.94 | 1 | 2 | 1 | 22 | 330.398 | 5 | ↓ |
| Hi High (pH 8-9.5) | 4.56 | 10.13 | -8.26 | 0 | 2 | 0 | 20 | 329.39 | 5 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597-12-O | Rattus Norvegicus (cluster #12 Of 12), Other | Other | 2670 | 0.33 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z50597 | Z50597 | Rattus Norvegicus | 2670 | 0.33 | Functional ≤ 10μM |
