In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 20th, 2008 | 21 | Yes |
Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-piperazin-1-yl-acetamide N-[2-chloro-5-(trifluoromethyl)p…
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) | 2.31 | 4.66 | -39.92 | 3 | 4 | 1 | 46 | 322.738 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 3.84 | -44.78 | 3 | 4 | 1 | 49 | 322.738 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.31 | 2.42 | -9.17 | 2 | 4 | 0 | 44 | 321.73 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.31 | 6.07 | -120.18 | 4 | 4 | 2 | 50 | 323.746 | 4 | ↓ |