| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 19th, 2009 | 20 | Yes |
Popular Name: 3-[(2S)-2-hydroxy-3-(4-methylpiperazin-1-yl)propoxy]benzonitrile 3-[(2S)-2-hydroxy-3-(4-methylpip…
| 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) | 1.00 | 3.63 | -41.37 | 2 | 5 | 1 | 61 | 276.36 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.00 | 1.26 | -9.7 | 1 | 5 | 0 | 60 | 275.352 | 5 | ↓ |
