In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 16 | Yes |
Popular Name: [(1R,2R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]cyclohexyl]methanamine [(1R,2R)-2-[(2S,6R)-2,6-dimethyl…
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) | 2.48 | 5.33 | -103.67 | 4 | 2 | 2 | 32 | 226.408 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 4.41 | -44.05 | 3 | 2 | 1 | 31 | 225.4 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.48 | 4.73 | -28.42 | 3 | 2 | 1 | 30 | 225.4 | 2 | ↓ |