| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 29th, 2010 | 16 | Yes |
Popular Name: (1S,2S)-2-[isopentyl(methyl)amino]cycloheptanecarbonitrile (1S,2S)-2-[isopentyl(methyl)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) | 4.06 | 8.92 | -36.6 | 1 | 2 | 1 | 28 | 223.384 | 4 | ↓ |
| Hi High (pH 8-9.5) | 4.06 | 7.25 | -4.87 | 0 | 2 | 0 | 27 | 222.376 | 4 | ↓ |
