In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 20th, 2009 | 18 | No |
Popular Name: 2-[4-(cyanomethyl)piperazin-1-yl]-6-fluoro-benzonitrile 2-[4-(cyanomethyl)piperazin-1-yl…
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) | 1.54 | 4.42 | -12.8 | 0 | 4 | 0 | 54 | 244.273 | 2 | ↓ |
Lo Low (pH 4.5-6) | 1.54 | 6.81 | -58.7 | 1 | 4 | 1 | 55 | 245.281 | 2 | ↓ |