| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (1S,2R)-2-[2-cyanoethyl(ethyl)amino]cycloheptanecarbonitrile (1S,2R)-2-[2-cyanoethyl(ethyl)am…
| 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) | 2.24 | 5.66 | -11.2 | 0 | 3 | 0 | 51 | 219.332 | 4 | ↓ |
| Mid Mid (pH 6-8) | 2.24 | 7.62 | -55.81 | 1 | 3 | 1 | 52 | 220.34 | 4 | ↓ |
