| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 30th, 2010 | 13 | Yes |
Popular Name: (2S)-3-[2-cyanoethyl(isopropyl)amino]-2-methyl-propanenitrile (2S)-3-[2-cyanoethyl(isopropyl)a…
| 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) | 1.00 | 4.93 | -10.06 | 0 | 3 | 0 | 51 | 179.267 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 6.59 | -56.97 | 1 | 3 | 1 | 52 | 180.275 | 5 | ↓ |
