In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 18th, 2009 | 13 | Yes |
Popular Name: (2R)-3-[(2S,6R)-2,6-dimethyl-1-piperidyl]-2-methyl-propanenitrile (2R)-3-[(2S,6R)-2,6-dimethyl-1-p…
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) | 2.44 | 6.75 | -37.99 | 1 | 2 | 1 | 28 | 181.303 | 2 | ↓ |
Hi High (pH 8-9.5) | 2.44 | 4.66 | -4.24 | 0 | 2 | 0 | 27 | 180.295 | 2 | ↓ |