| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 1st, 2009 | 17 | Yes |
Popular Name: 4-[(2S)-2-hydroxy-3-(isopropylamino)propoxy]benzonitrile 4-[(2S)-2-hydroxy-3-(isopropylam…
| 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) | 1.56 | 3.55 | -46.43 | 3 | 4 | 1 | 70 | 235.307 | 6 | ↓ |
| Hi High (pH 8-9.5) | 1.56 | 2.37 | -7.73 | 2 | 4 | 0 | 65 | 234.299 | 6 | ↓ |
