In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 18 | Yes |
Popular Name: (1S,2R)-2-[(6S)-2,2,6-trimethylmorpholin-4-yl]cycloheptanecarbonitrile (1S,2R)-2-[(6S)-2,2,6-trimethylm…
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) | 3.42 | 5.94 | -7.04 | 0 | 3 | 0 | 36 | 250.386 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.42 | 7.63 | -41.57 | 1 | 3 | 1 | 37 | 251.394 | 1 | ↓ |