| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 1st, 2009 | 19 | No |
Popular Name: (E)-4-[[2-methyl-2-(4-methylpiperazin-1-yl)propyl]amino]-4-oxo-but-2-enoic (E)-4-[[2-methyl-2-(4-methylpipe…
| 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) | -0.08 | 3.98 | -67.69 | 2 | 6 | 0 | 77 | 269.345 | 5 | ↓ |
| Hi High (pH 8-9.5) | -0.08 | 1.62 | -45.15 | 1 | 6 | -1 | 76 | 268.337 | 5 | ↓ |
| Mid Mid (pH 6-8) | -0.08 | 3.57 | -61.66 | 2 | 6 | 0 | 77 | 269.345 | 5 | ↓ |
