In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 13th, 2010 | 19 | Yes |
Popular Name: N'-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N-ethyl-N-methyl-ethane-1,2-diamine N'-[[5-bromo-2-(difluoromethoxy)…
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) | 3.25 | 7.46 | -118.58 | 3 | 3 | 2 | 30 | 339.224 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.25 | 3.75 | -4.29 | 1 | 3 | 0 | 24 | 337.208 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.25 | 6.08 | -37.21 | 2 | 3 | 1 | 26 | 338.216 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.25 | 5.15 | -42.37 | 2 | 3 | 1 | 29 | 338.216 | 8 | ↓ |