In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
March 25th, 2010 | 30 | Yes |
Popular Name: 4-[[2-(4-cyanophenyl)-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl]methyl]benzonitrile 4-[[2-(4-cyanophenyl)-6,7-dihydr…
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) | 4.20 | 11.71 | -17.8 | 0 | 6 | 0 | 84 | 392.418 | 3 | ↓ |
Lo Low (pH 4.5-6) | 4.20 | 12.5 | -46.04 | 1 | 6 | 1 | 85 | 393.426 | 3 | ↓ |