In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 11th, 2009 | 22 | Yes |
Popular Name: 1-[2-(3-chloro-4-fluoro-anilino)-2-oxo-ethyl]-N-methyl-piperidine-4-carboxamide 1-[2-(3-chloro-4-fluoro-anilino)…
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) | 2.16 | 5.54 | -57.89 | 3 | 5 | 1 | 63 | 328.795 | 4 | ↓ |
Hi High (pH 8-9.5) | 2.16 | 3.35 | -20.34 | 2 | 5 | 0 | 61 | 327.787 | 4 | ↓ |