In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 5th, 2009 | 19 | Yes |
Popular Name: 2,2-diethyl-4-(4-ethylpiperazin-1-yl)-4-oxo-butanoic 2,2-diethyl-4-(4-ethylpiperazin-…
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) | 1.27 | 6.1 | -58.7 | 0 | 5 | -1 | 64 | 269.365 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.27 | 8.42 | -77.64 | 1 | 5 | 0 | 65 | 270.373 | 6 | ↓ |
Lo Low (pH 4.5-6) | 1.27 | 5.91 | -41.55 | 2 | 5 | 1 | 62 | 271.381 | 6 | ↓ |