In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 6th, 2010 | 20 | Yes |
Popular Name: 3-[4-[(2S,6R)-2,6-dimethylmorpholine-4-carbonyl]-1-piperidyl]propanenitrile 3-[4-[(2S,6R)-2,6-dimethylmorpho…
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) | 0.50 | 6.94 | -58.9 | 1 | 5 | 1 | 58 | 280.392 | 3 | ↓ |
Mid Mid (pH 6-8) | 0.50 | 4.69 | -12.14 | 0 | 5 | 0 | 57 | 279.384 | 3 | ↓ |