In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 2nd, 2009 | 21 | Yes |
Popular Name: 2-[4-(5-bromo-2-fluoro-benzoyl)-1,4-diazepan-1-yl]acetamide 2-[4-(5-bromo-2-fluoro-benzoyl)-…
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) | 0.70 | 5.04 | -41.23 | 3 | 5 | 1 | 68 | 359.219 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.70 | 3.34 | -12.74 | 2 | 5 | 0 | 67 | 358.211 | 3 | ↓ |