In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2008 | 20 | Yes |
Popular Name: 2-piperazin-1-yl-N-[3-(trifluoromethyl)phenyl]acetamide 2-piperazin-1-yl-N-[3-(trifluoro…
None
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) | 1.68 | 4.02 | -41.89 | 3 | 4 | 1 | 46 | 288.293 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 3.2 | -46.42 | 3 | 4 | 1 | 49 | 288.293 | 4 | ↓ |
Hi High (pH 8-9.5) | 1.68 | 1.78 | -9.53 | 2 | 4 | 0 | 44 | 287.285 | 4 | ↓ |
Lo Low (pH 4.5-6) | 1.68 | 5.42 | -122.87 | 4 | 4 | 2 | 50 | 289.301 | 4 | ↓ |