In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 18 | Yes |
Popular Name: (2R)-2-(4-bromo-2-fluoro-phenyl)-2-(4-methyl-1-piperidyl)ethanamine (2R)-2-(4-bromo-2-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) | 2.78 | 7.79 | -126.44 | 4 | 2 | 2 | 32 | 317.246 | 3 | ↓ |
Hi High (pH 8-9.5) | 2.78 | 7.72 | -32.22 | 3 | 2 | 1 | 30 | 316.238 | 3 | ↓ |
Mid Mid (pH 6-8) | 2.78 | 6.43 | -42.92 | 3 | 2 | 1 | 31 | 316.238 | 3 | ↓ |