| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| August 3rd, 2010 | 21 | Yes |
Popular Name: 2-[(2S)-3-[4-(dimethylamino)butylamino]-2-hydroxy-propoxy]benzonitrile 2-[(2S)-3-[4-(dimethylamino)buty…
| 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) | 1.06 | 5.9 | -105.63 | 4 | 5 | 2 | 74 | 293.411 | 10 | ↓ |
| Hi High (pH 8-9.5) | 1.06 | 4.55 | -43.52 | 3 | 5 | 1 | 70 | 292.403 | 10 | ↓ |
