| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 21 | Yes |
Popular Name: 4-[[5-(4-methylpiperazin-1-yl)-2-pyridyl]amino]-4-oxo-butanoic 4-[[5-(4-methylpiperazin-1-yl)-2…
| 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) | 0.17 | 4.79 | -81.5 | 2 | 7 | 0 | 90 | 292.339 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 2.31 | -55.46 | 1 | 7 | -1 | 89 | 291.331 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.17 | 3.67 | -50.45 | 3 | 7 | 1 | 87 | 293.347 | 5 | ↓ |
