In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 22nd, 2009 | 34 | Yes |
Popular Name: N-[6-[4-(p-tolylmethyl)-1,4-diazepan-1-yl]-3-pyridyl]-2-(trifluoromethyl)benzamide N-[6-[4-(p-tolylmethyl)-1,4-diaz…
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) | 5.06 | 14.62 | -46.94 | 2 | 5 | 1 | 50 | 469.531 | 6 | ↓ |
Lo Low (pH 4.5-6) | 5.06 | 14.97 | -102.31 | 3 | 5 | 2 | 51 | 470.539 | 6 | ↓ |