In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 17th, 2009 | 29 | Yes |
Popular Name: (4-benzyl-1-piperidyl)-[6-(2-diethylaminoethylsulfanyl)-3-pyridyl]methanone (4-benzyl-1-piperidyl)-[6-(2-die…
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) | 3.97 | 13.6 | -43.32 | 1 | 4 | 1 | 38 | 412.623 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.97 | 11.38 | -8.11 | 0 | 4 | 0 | 36 | 411.615 | 9 | ↓ |