| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-2-[2-cyanoethyl(isobutyl)amino]cycloheptanecarbonitrile (1S,2S)-2-[2-cyanoethyl(isobutyl…
| 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 | 9.24 | -47.1 | 1 | 3 | 1 | 52 | 248.394 | 5 | ↓ |
| Mid Mid (pH 6-8) | 2.98 | 8.19 | -8.32 | 0 | 3 | 0 | 51 | 247.386 | 5 | ↓ |
