| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 2nd, 2009 | 20 | Yes |
Popular Name: 2,2-diethyl-4-oxo-4-(4-prop-2-ynylpiperazin-1-yl)butanoic 2,2-diethyl-4-oxo-4-(4-prop-2-yn…
| 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) | 1.06 | 6.62 | -60.55 | 0 | 5 | -1 | 64 | 279.36 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 4.22 | -7.27 | 1 | 5 | 0 | 61 | 280.368 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 8.87 | -81.26 | 1 | 5 | 0 | 65 | 280.368 | 6 | ↓ |
| Lo Low (pH 4.5-6) | 1.06 | 6.47 | -43.65 | 2 | 5 | 1 | 62 | 281.376 | 6 | ↓ |
