In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 23rd, 2009 | 20 | Yes |
Popular Name: 2,2-diethyl-4-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxo-butanoic 2,2-diethyl-4-[4-(2-hydroxyethyl…
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) | 0.27 | 2.79 | -60.91 | 1 | 6 | -1 | 84 | 285.364 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.27 | 5.19 | -77.09 | 2 | 6 | 0 | 85 | 286.372 | 7 | ↓ |
Lo Low (pH 4.5-6) | 0.27 | 0.39 | -7.75 | 2 | 6 | 0 | 81 | 286.372 | 7 | ↓ |