| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2010 | 20 | Yes |
Popular Name: 4-[(1S)-2-[2-cyanoethyl(isobutyl)amino]-1-hydroxy-ethyl]benzonitrile 4-[(1S)-2-[2-cyanoethyl(isobutyl…
| 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) | 1.49 | 7.93 | -60.13 | 2 | 4 | 1 | 72 | 272.372 | 7 | ↓ |
| Mid Mid (pH 6-8) | 1.49 | 6 | -11.02 | 1 | 4 | 0 | 71 | 271.364 | 7 | ↓ |
