In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 10th, 2008 | 29 | Yes |
Popular Name: 2-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]-1-(4-phenylphenyl)ethanone 2-[4-[(4-chlorophenyl)methyl]pip…
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) | 5.25 | 13.49 | -45.88 | 1 | 3 | 1 | 25 | 405.949 | 6 | ↓ |
Hi High (pH 8-9.5) | 5.25 | 11.25 | -9.28 | 0 | 3 | 0 | 24 | 404.941 | 6 | ↓ |
Mid Mid (pH 6-8) | 5.25 | 13.47 | -44.48 | 1 | 3 | 1 | 25 | 405.949 | 6 | ↓ |