| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 21st, 2009 | 15 | Yes |
Popular Name: (1S,2S)-2-[isobutyl(methyl)amino]cycloheptanecarbonitrile (1S,2S)-2-[isobutyl(methyl)amino…
| 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) | 3.53 | 7.74 | -35.42 | 1 | 2 | 1 | 28 | 209.357 | 3 | ↓ |
| Hi High (pH 8-9.5) | 3.53 | 6.77 | -4.74 | 0 | 2 | 0 | 27 | 208.349 | 3 | ↓ |
