| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 18 | Yes |
Popular Name: 4-[(2S)-2-hydroxy-3-[[(1S)-1-methylpropyl]amino]propoxy]benzonitrile 4-[(2S)-2-hydroxy-3-[[(1S)-1-met…
| 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) | 2.10 | 4.34 | -46.33 | 3 | 4 | 1 | 70 | 249.334 | 7 | ↓ |
| Hi High (pH 8-9.5) | 2.10 | 3.17 | -7.59 | 2 | 4 | 0 | 65 | 248.326 | 7 | ↓ |
