In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 3rd, 2011 | 20 | Yes |
Popular Name: 2-[1-[(2-chloro-6-fluoro-phenyl)methyl]-4-piperidyl]-N,N-dimethyl-ethanamine 2-[1-[(2-chloro-6-fluoro-phenyl)…
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) | 3.74 | 11.19 | -81.73 | 2 | 2 | 2 | 9 | 300.849 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.74 | 8.95 | -35.8 | 1 | 2 | 1 | 8 | 299.841 | 5 | ↓ |