In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 17th, 2010 | 17 | Yes |
Popular Name: 4-[(3-chloro-4-fluoro-phenyl)methylamino]-4-oxo-butanoic 4-[(3-chloro-4-fluoro-phenyl)met…
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) | 1.37 | 5.58 | -45.42 | 1 | 4 | -1 | 69 | 258.656 | 5 | ↓ |
Lo Low (pH 4.5-6) | 1.37 | 3.6 | -9.74 | 2 | 4 | 0 | 66 | 259.664 | 5 | ↓ |