| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 14 | Yes |
Popular Name: 3-[[(1S,3S)-1-(hydroxymethyl)-3-methyl-cyclohexyl]amino]propanenitrile 3-[[(1S,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) | 0.90 | 1.98 | -6.47 | 2 | 3 | 0 | 56 | 196.294 | 4 | ↓ |
| Mid Mid (pH 6-8) | 0.90 | 3.17 | -44.67 | 3 | 3 | 1 | 61 | 197.302 | 4 | ↓ |
