In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 29th, 2008 | 21 | Yes |
Popular Name: (2R)-2-[2-(difluoromethoxy)phenyl]-2-[(3R,5S)-3,5-dimethyl-1-piperidyl]ethanamine (2R)-2-[2-(difluoromethoxy)pheny…
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) | 2.92 | 7.1 | -126.23 | 4 | 3 | 2 | 41 | 300.393 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 5.28 | -48.78 | 3 | 3 | 1 | 40 | 299.385 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.92 | 7 | -32.27 | 3 | 3 | 1 | 40 | 299.385 | 5 | ↓ |