In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 30th, 2010 | 20 | Yes |
Popular Name: N'-[[5-bromo-2-(difluoromethoxy)phenyl]methyl]-N-isopropyl-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) | 3.55 | 6.61 | -36.2 | 2 | 3 | 1 | 26 | 352.243 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.55 | 4.16 | -4.07 | 1 | 3 | 0 | 24 | 351.235 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.55 | 5.72 | -42.47 | 2 | 3 | 1 | 29 | 352.243 | 8 | ↓ |
Mid Mid (pH 6-8) | 3.55 | 7.99 | -118.18 | 3 | 3 | 2 | 30 | 353.251 | 8 | ↓ |