| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 17th, 2009 | 17 | Yes |
Popular Name: 2-[(2S)-3-(allylamino)-2-hydroxy-propoxy]benzonitrile 2-[(2S)-3-(allylamino)-2-hydroxy…
| 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) | 1.14 | 3.61 | -48.84 | 3 | 4 | 1 | 70 | 233.291 | 7 | ↓ |
| Hi High (pH 8-9.5) | 1.14 | 2.24 | -11.53 | 2 | 4 | 0 | 65 | 232.283 | 7 | ↓ |
