In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 18th, 2009 | 18 | Yes |
Popular Name: N-[(4-bromo-2-fluoro-phenyl)methyl]-N',N',2,2-tetramethyl-propane-1,3-diamine N-[(4-bromo-2-fluoro-phenyl)meth…
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) | 3.59 | 9.26 | -101.99 | 3 | 2 | 2 | 21 | 319.262 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.59 | 8.08 | -35.26 | 2 | 2 | 1 | 16 | 318.254 | 6 | ↓ |