In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 18 | Yes |
Popular Name: N-[2-(aminomethyl)-5-bromo-phenyl]-N',N'-dimethyl-N-propyl-ethane-1,2-diamine N-[2-(aminomethyl)-5-bromo-pheny…
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) | 2.87 | 7.95 | -112.01 | 4 | 3 | 2 | 35 | 316.287 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.87 | 5.46 | -47.28 | 3 | 3 | 1 | 34 | 315.279 | 7 | ↓ |