In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 22nd, 2011 | 24 | No |
Popular Name: (E)-1-(4-ethylpiperazin-1-yl)-3-(3,4,5-trimethoxyphenyl)prop-2-en-1-one (E)-1-(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) | 1.91 | 5.37 | -12.5 | 0 | 6 | 0 | 51 | 334.416 | 6 | ↓ |
Mid Mid (pH 6-8) | 1.91 | 7.6 | -50.91 | 1 | 6 | 1 | 52 | 335.424 | 6 | ↓ |