In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 20th, 2008 | 29 | Yes |
Popular Name: 1-[bis(4-fluorophenyl)methyl]-4-[2-(4-pyridyl)ethyl]piperazine 1-[bis(4-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) | 4.25 | 12.76 | -52.83 | 1 | 3 | 1 | 21 | 394.489 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.25 | 12.23 | -48.85 | 1 | 3 | 1 | 21 | 394.489 | 6 | ↓ |
Mid Mid (pH 6-8) | 4.25 | 10.44 | -6.87 | 0 | 3 | 0 | 19 | 393.481 | 6 | ↓ |