| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 22 | No |
Popular Name: (E)-4-[4-[(4-methylpiperazin-1-yl)methyl]anilino]-4-oxo-but-2-enoic (E)-4-[4-[(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) | 0.58 | 5.17 | -74.76 | 2 | 6 | 0 | 77 | 303.362 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 5.04 | -75.61 | 2 | 6 | 0 | 77 | 303.362 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.58 | 2.7 | -50.26 | 1 | 6 | -1 | 76 | 302.354 | 5 | ↓ |
