In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 34 | Yes |
Popular Name: 2-fluoro-N-[6-[4-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide 2-fluoro-N-[6-[4-[[4-(trifluorom…
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) | 4.77 | 13.99 | -53.24 | 2 | 5 | 1 | 50 | 473.494 | 6 | ↓ |
Lo Low (pH 4.5-6) | 4.77 | 14.31 | -110.89 | 3 | 5 | 2 | 51 | 474.502 | 6 | ↓ |