In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 9th, 2009 | 32 | Yes |
Popular Name: [4-[6-methyl-2-[3-(trifluoromethyl)phenyl]pyrimidin-4-yl]piperazin-1-yl]-(o-tolyl)methanone [4-[6-methyl-2-[3-(trifluorometh…
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) | 4.52 | 13.31 | -12.68 | 0 | 5 | 0 | 49 | 440.469 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.52 | 13.63 | -40.62 | 1 | 5 | 1 | 51 | 441.477 | 4 | ↓ |