| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 20th, 2011 | 34 | Yes |
Popular Name: 4-[4-chloro-3-(trifluoromethyl)phenyl]-1-(4,4-diphenylbutyl)piperidin-4-ol 4-[4-chloro-3-(trifluoromethyl)p…
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| 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) | 7.00 | 15.61 | -48 | 2 | 2 | 1 | 25 | 489.001 | 8 | ↓ |
| Hi High (pH 8-9.5) | 7.00 | 13.38 | -6.88 | 1 | 2 | 0 | 23 | 487.993 | 8 | ↓ |
| Code | Description | Organism Class | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103267-1-O | H4 (cluster #1 Of 1), Other | Other | 5100 | 0.22 | Functional ≤ 10μM |
| Uniprot | Swissprot | Description | Affinity (nM) | LE (kcal/mol/atom) | Type |
|---|---|---|---|---|---|
| Z103267 | Z103267 | H4 | 5100 | 0.22 | Functional ≤ 10μM |
No pre-computed analogs available. Try a structural similarity search.
