| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 17th, 2010 | 16 | Yes |
Popular Name: (3S)-3-[[1-(hydroxymethyl)-4-methyl-cyclohexyl]amino]pentanenitrile (3S)-3-[[1-(hydroxymethyl)-4-met…
| 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) | 1.54 | 3.84 | -39.72 | 3 | 3 | 1 | 61 | 225.356 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.54 | 3.4 | -5.73 | 2 | 3 | 0 | 56 | 224.348 | 5 | ↓ |
