| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 24th, 2009 | 20 | Yes |
Popular Name: 4-[(1R)-1-hydroxy-2-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]benzonitrile 4-[(1R)-1-hydroxy-2-[4-(2-hydrox…
| 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) | 0.17 | -0.93 | -9.3 | 2 | 5 | 0 | 71 | 275.352 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 1.42 | -39.54 | 3 | 5 | 1 | 72 | 276.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 1.37 | -47.59 | 3 | 5 | 1 | 72 | 276.36 | 5 | ↓ |
