In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 35 | Yes |
Popular Name: 4-tert-butyl-N-[6-[4-[(2,4-difluorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridyl]benzamide 4-tert-butyl-N-[6-[4-[(2,4-diflu…
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) | 5.72 | 15.37 | -43.75 | 2 | 5 | 1 | 50 | 479.595 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.72 | 15.69 | -102.25 | 3 | 5 | 2 | 51 | 480.603 | 6 | ↓ |