| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 4th, 2010 | 17 | Yes |
Popular Name: (1S,2R)-2-[methyl-[(1S)-1,2,2-trimethylpropyl]amino]cycloheptanecarbonitrile (1S,2R)-2-[methyl-[(1S)-1,2,2-tr…
| 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) | 4.44 | 8.69 | -37.68 | 1 | 2 | 1 | 28 | 237.411 | 3 | ↓ |
| Hi High (pH 8-9.5) | 4.44 | 7.26 | -5.79 | 0 | 2 | 0 | 27 | 236.403 | 3 | ↓ |
