| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2011 | 15 | Yes |
Popular Name: 4-(4-Chlorophenyl)piperidine-4-carbonitrile 4-(4-Chlorophenyl)piperidine-4-c…
Find On: PubMed — Wikipedia — Google
CAS Numbers: 91721-16-3 , [91721-16-3]
| 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) | 2.28 | 6.18 | -51.19 | 2 | 2 | 1 | 40 | 221.711 | 1 | ↓ |
| Hi High (pH 8-9.5) | 2.28 | 4.81 | -5.88 | 1 | 2 | 0 | 36 | 220.703 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
