| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 19 | Yes |
Popular Name: 3-[(2S)-3-[2-cyanoethyl(methyl)amino]-2-hydroxy-propoxy]benzonitrile 3-[(2S)-3-[2-cyanoethyl(methyl)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) | 0.57 | 2.98 | -14.05 | 1 | 5 | 0 | 80 | 259.309 | 7 | ↓ |
| Mid Mid (pH 6-8) | 0.57 | 5.39 | -60.8 | 2 | 5 | 1 | 81 | 260.317 | 7 | ↓ |
