| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 19th, 2009 | 22 | Yes |
Popular Name: 4-[[6-(4-ethylpiperazin-1-yl)-3-pyridyl]amino]-4-oxo-butanoic 4-[[6-(4-ethylpiperazin-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) | 0.54 | 5.13 | -73.26 | 2 | 7 | 0 | 90 | 306.366 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 2.75 | -49.57 | 1 | 7 | -1 | 89 | 305.358 | 6 | ↓ |
| Mid Mid (pH 6-8) | 0.54 | 5.42 | -120.48 | 3 | 7 | 1 | 91 | 307.374 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 0.54 | 4.01 | -44.23 | 3 | 7 | 1 | 87 | 307.374 | 6 | ↓ |
