| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 5th, 2010 | 14 | Yes |
Popular Name: (3S)-3-[[(1R,2R)-2-methylcyclohexyl]methylamino]butanenitrile (3S)-3-[[(1R,2R)-2-methylcyclohe…
| 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) | 2.42 | 7.03 | -44.59 | 2 | 2 | 1 | 40 | 195.33 | 4 | ↓ |
| Hi High (pH 8-9.5) | 2.42 | 6.09 | -6.83 | 1 | 2 | 0 | 36 | 194.322 | 4 | ↓ |
