In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 8th, 2010 | 30 | Yes |
Popular Name: 2-[[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]methyl]benzonitrile 2-[[4-[bis(4-fluorophenyl)methyl…
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) | 4.84 | 13.83 | -44.95 | 1 | 3 | 1 | 31 | 404.484 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.84 | 11.58 | -8.38 | 0 | 3 | 0 | 30 | 403.476 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.84 | 13.42 | -46.48 | 1 | 3 | 1 | 31 | 404.484 | 5 | ↓ |