In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 22nd, 2008 | 25 | Yes |
Popular Name: 2-[4-[2-(cyclopropylamino)-2-oxo-ethyl]piperazin-1-yl]-N-(2-fluoro-4-methyl-phenyl)acetamide 2-[4-[2-(cyclopropylamino)-2-oxo…
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) | 1.92 | 5.35 | -44.19 | 3 | 6 | 1 | 66 | 349.43 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 5.36 | -46.58 | 3 | 6 | 1 | 66 | 349.43 | 6 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 3.13 | -16.21 | 2 | 6 | 0 | 65 | 348.422 | 6 | ↓ |