In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2008 | 22 | Yes |
Popular Name: 1-ethyl-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine 1-ethyl-4-[3-[3-(trifluoromethyl…
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) | 3.43 | 8.09 | -36.52 | 1 | 3 | 1 | 17 | 317.375 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.43 | 5.78 | -4.95 | 0 | 3 | 0 | 16 | 316.367 | 7 | ↓ |
Mid Mid (pH 6-8) | 3.43 | 8.09 | -41.21 | 1 | 3 | 1 | 17 | 317.375 | 7 | ↓ |