In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 21 | No |
Popular Name: [3-(chloromethyl)phenyl]-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone [3-(chloromethyl)phenyl]-[4-(2,2…
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) | 2.27 | 6.45 | -10.14 | 0 | 3 | 0 | 24 | 320.742 | 4 | ↓ |
Lo Low (pH 4.5-6) | 2.27 | 8.5 | -49.41 | 1 | 3 | 1 | 25 | 321.75 | 4 | ↓ |