| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 13 | No |
Popular Name: 2-[[(1R,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]acetonitrile 2-[[(1R,3S)-1-(hydroxymethyl)-3-…
| 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) | 1.23 | 0.8 | -6.42 | 2 | 3 | 0 | 56 | 182.267 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.23 | 1.98 | -44.02 | 3 | 3 | 1 | 61 | 183.275 | 3 | ↓ |
