In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
February 19th, 2009 | 28 | Yes |
Popular Name: 5-bromo-3-methyl-N-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]benzofuran-2-carboxamide 5-bromo-3-methyl-N-[[1-(4-methyl…
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) | 4.75 | 9.03 | -41.83 | 2 | 5 | 1 | 50 | 449.413 | 4 | ↓ |
Hi High (pH 8-9.5) | 4.75 | 6.55 | -5.44 | 1 | 5 | 0 | 49 | 448.405 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.75 | 8.8 | -39.47 | 2 | 5 | 1 | 50 | 449.413 | 4 | ↓ |