In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 18th, 2009 | 31 | Yes |
Popular Name: 3-methyl-N-[6-[4-[4-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridyl]but-2-enamide 3-methyl-N-[6-[4-[4-(trifluorome…
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) | 3.51 | 10.01 | -12.49 | 1 | 6 | 0 | 66 | 432.446 | 5 | ↓ |
Mid Mid (pH 6-8) | 3.51 | 10.36 | -41.61 | 2 | 6 | 1 | 67 | 433.454 | 5 | ↓ |