| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 20 | No |
Popular Name: 4-[(3S)-3-(4-methylpiperazin-1-yl)butoxy]benzaldehyde 4-[(3S)-3-(4-methylpiperazin-1-y…
| 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) | 2.31 | 6.92 | -42.8 | 1 | 4 | 1 | 34 | 277.388 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.31 | 4.44 | -7.55 | 0 | 4 | 0 | 33 | 276.38 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.31 | 6.43 | -45.35 | 1 | 4 | 1 | 34 | 277.388 | 6 | ↓ |
