In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 26th, 2011 | 18 | Yes |
Popular Name: 1-(4-acetylpiperazin-1-yl)-3-(diethylamino)propan-1-one 1-(4-acetylpiperazin-1-yl)-3-(di…
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) | -0.03 | 5.91 | -44.05 | 1 | 5 | 1 | 45 | 256.37 | 5 | ↓ |
Hi High (pH 8-9.5) | -0.03 | 3.79 | -11.07 | 0 | 5 | 0 | 44 | 255.362 | 5 | ↓ |