| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 18 | Yes |
Popular Name: (1S,2S)-2-[isopropyl(pentyl)amino]cycloheptanecarbonitrile (1S,2S)-2-[isopropyl(pentyl)amin…
| 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) | 5.02 | 9.82 | -34.46 | 1 | 2 | 1 | 28 | 251.438 | 6 | ↓ |
| Hi High (pH 8-9.5) | 5.02 | 7.89 | -3.19 | 0 | 2 | 0 | 27 | 250.43 | 6 | ↓ |
