In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 11th, 2010 | 28 | Yes |
Popular Name: [4-[(4-chlorophenyl)methyl]piperazin-1-yl]-[2-(2,2,2-trifluoroethoxy)-3-pyridyl]methanone [4-[(4-chlorophenyl)methyl]piper…
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) | 2.91 | 6.95 | -14.99 | 0 | 5 | 0 | 46 | 413.827 | 6 | ↓ |
Mid Mid (pH 6-8) | 2.91 | 9.18 | -56.69 | 1 | 5 | 1 | 47 | 414.835 | 6 | ↓ |