In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 21st, 2010 | 20 | Yes |
Popular Name: N'-benzyl-N-[(2-bromophenyl)methyl]-N-methyl-ethane-1,2-diamine N'-benzyl-N-[(2-bromophenyl)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) | 3.69 | 8.58 | -40.13 | 2 | 2 | 1 | 20 | 334.281 | 7 | ↓ |
Hi High (pH 8-9.5) | 3.69 | 9.39 | -33.65 | 2 | 2 | 1 | 16 | 334.281 | 7 | ↓ |
Lo Low (pH 4.5-6) | 3.69 | 10.74 | -117.15 | 3 | 2 | 2 | 21 | 335.289 | 7 | ↓ |