In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 12th, 2008 | 21 | Yes |
Popular Name: 1-[1-[(2-fluorophenyl)methyl]-4-piperidyl]-4-methyl-piperazine 1-[1-[(2-fluorophenyl)methyl]-4-…
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) | 2.17 | 8.9 | -82.39 | 2 | 3 | 2 | 12 | 293.43 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 6.43 | -35.1 | 1 | 3 | 1 | 11 | 292.422 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.17 | 8.68 | -101.39 | 2 | 3 | 2 | 12 | 293.43 | 3 | ↓ |