| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 27th, 2010 | 14 | Yes |
Popular Name: (2S)-3-[cyclohexylmethyl(methyl)amino]-2-methyl-propanenitrile (2S)-3-[cyclohexylmethyl(methyl)…
| 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) | 3.16 | 8.5 | -42.53 | 1 | 2 | 1 | 28 | 195.33 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.16 | 6.77 | -5.95 | 0 | 2 | 0 | 27 | 194.322 | 4 | ↓ |
