In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 13th, 2010 | 19 | Yes |
Popular Name: (2R,5S)-2,5-dimethyl-1-[4-(trifluoromethoxy)phenyl]piperazine (2R,5S)-2,5-dimethyl-1-[4-(trifl…
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) | 3.32 | 5.61 | -40.45 | 2 | 3 | 1 | 29 | 275.294 | 3 | ↓ |
Hi High (pH 8-9.5) | 3.32 | 4.36 | -1.82 | 1 | 3 | 0 | 24 | 274.286 | 3 | ↓ |