| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 18 | Yes |
Popular Name: 4-[(2S)-2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propoxy]benzonitrile 4-[(2S)-2-hydroxy-3-[2-hydroxyet…
| 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) | 0.50 | 2.03 | -43.49 | 3 | 5 | 1 | 78 | 251.306 | 7 | ↓ |
| Hi High (pH 8-9.5) | 0.50 | -0.3 | -9.58 | 2 | 5 | 0 | 77 | 250.298 | 7 | ↓ |
