| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 18 | No |
Popular Name: (E)-4-[3-(4-methylpiperazin-1-yl)propylamino]-4-oxo-but-2-enoic (E)-4-[3-(4-methylpiperazin-1-yl…
| 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) | -0.62 | 3.34 | -70.05 | 2 | 6 | 0 | 77 | 255.318 | 6 | ↓ |
| Hi High (pH 8-9.5) | -0.62 | 0.96 | -45.75 | 1 | 6 | -1 | 76 | 254.31 | 6 | ↓ |
| Mid Mid (pH 6-8) | -0.62 | 3.23 | -70.26 | 2 | 6 | 0 | 77 | 255.318 | 6 | ↓ |
