| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 18 | Yes |
Popular Name: 2-[(2S)-2-hydroxy-3-(isobutylamino)propoxy]benzonitrile 2-[(2S)-2-hydroxy-3-(isobutylami…
| 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) | 1.61 | 4.49 | -48.79 | 3 | 4 | 1 | 70 | 249.334 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.61 | 3.29 | -11.05 | 2 | 4 | 0 | 65 | 248.326 | 7 | ↓ |
