In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
May 4th, 2010 | 21 | Yes |
Popular Name: N-[5-bromo-2-(ethylaminomethyl)phenyl]-N-isobutyl-N',N'-dimethyl-ethane-1,2-diamine N-[5-bromo-2-(ethylaminomethyl)p…
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) | 3.86 | 11.05 | -108.31 | 3 | 3 | 2 | 24 | 358.368 | 9 | ↓ |
Hi High (pH 8-9.5) | 3.86 | 8.57 | -39.52 | 2 | 3 | 1 | 23 | 357.36 | 9 | ↓ |