| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 22nd, 2011 | 32 | Yes |
Popular Name: 1-[4,4-bis(4-fluorophenyl)butyl]-4-(p-tolyl)piperidin-4-ol 1-[4,4-bis(4-fluorophenyl)butyl]…
None
| 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) | 6.27 | 15.01 | -47.3 | 2 | 2 | 1 | 25 | 436.566 | 7 | ↓ |
| Hi High (pH 8-9.5) | 6.27 | 12.77 | -7.86 | 1 | 2 | 0 | 23 | 435.558 | 7 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103267-1-O | H4 (cluster #1 Of 1), Other | Other | 6400 | 0.23 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103267 | Z103267 | H4 | 6400 | 0.23 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
