| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 21 | Yes |
Popular Name: 1-[4-[(1S)-1-methyl-3-(4-methylpiperazin-1-yl)propoxy]phenyl]ethanone 1-[4-[(1S)-1-methyl-3-(4-methylp…
| 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) | 2.08 | 7.5 | -40.79 | 1 | 4 | 1 | 34 | 291.415 | 6 | ↓ |
| Hi High (pH 8-9.5) | 2.08 | 5.03 | -8.11 | 0 | 4 | 0 | 33 | 290.407 | 6 | ↓ |
| Mid Mid (pH 6-8) | 2.08 | 7.36 | -42.55 | 1 | 4 | 1 | 34 | 291.415 | 6 | ↓ |
