In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 18th, 2008 | 27 | Yes |
Popular Name: N-[2-(4-benzyl-1,4-diazepan-1-yl)-2-oxo-ethyl]-4-fluoro-benzamide N-[2-(4-benzyl-1,4-diazepan-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) | 2.21 | 9.94 | -45.7 | 2 | 5 | 1 | 54 | 370.448 | 5 | ↓ |
Hi High (pH 8-9.5) | 2.21 | 7.56 | -10.36 | 1 | 5 | 0 | 53 | 369.44 | 5 | ↓ |