In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 29th, 2010 | 17 | Yes |
Popular Name: 3-methyl-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butan-1-one 3-methyl-1-[4-(2,2,2-trifluoroet…
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) | 2.13 | 4.63 | -7.59 | 0 | 3 | 0 | 24 | 252.28 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.13 | 6.7 | -45.81 | 1 | 3 | 1 | 25 | 253.288 | 4 | ↓ |