In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2009 | 17 | Yes |
Popular Name: (1S,2R)-2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]cycloheptanecarbonitrile (1S,2R)-2-[(2S,6S)-2,6-dimethylm…
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) | 2.98 | 5.33 | -7.07 | 0 | 3 | 0 | 36 | 236.359 | 1 | ↓ |
Mid Mid (pH 6-8) | 2.98 | 7 | -41.83 | 1 | 3 | 1 | 37 | 237.367 | 1 | ↓ |