| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 21 | Yes |
Popular Name: 4-[[6-(4-methylpiperazin-1-yl)-3-pyridyl]amino]-4-oxo-butanoic 4-[[6-(4-methylpiperazin-1-yl)-3…
| 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 | 4.55 | -74.82 | 2 | 7 | 0 | 90 | 292.339 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 4.85 | -120.74 | 3 | 7 | 1 | 91 | 293.347 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 2.38 | -64.74 | 2 | 7 | 0 | 90 | 292.339 | 5 | ↓ |
| Mid Mid (pH 6-8) | 0.17 | 2.08 | -49.67 | 1 | 7 | -1 | 89 | 291.331 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 0.17 | 3.43 | -45.64 | 3 | 7 | 1 | 87 | 293.347 | 5 | ↓ |
