In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 10th, 2008 | 30 | Yes |
Popular Name: 1-[2-(4-benzylpiperazin-1-yl)-2-oxo-ethyl]-4-ethyl-quinoxaline-2,3-dione 1-[2-(4-benzylpiperazin-1-yl)-2-…
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) | 1.78 | 9.53 | -20.59 | 0 | 7 | 0 | 68 | 406.486 | 5 | ↓ |
Mid Mid (pH 6-8) | 1.78 | 11.87 | -62.44 | 1 | 7 | 1 | 69 | 407.494 | 5 | ↓ |