| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 20 | Yes |
Popular Name: 2-[4-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]ethoxy]phenyl]acetonitrile 2-[4-[2-[(3S,5R)-3,5-dimethyl-1-…
| 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) | 3.61 | 10.4 | -39.81 | 1 | 3 | 1 | 37 | 273.4 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.61 | 8.17 | -9.24 | 0 | 3 | 0 | 36 | 272.392 | 5 | ↓ |
