In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 2nd, 2010 | 20 | Yes |
Popular Name: N-[2-[3-(aminomethyl)phenoxy]ethyl]-N',N'-dimethyl-N-propyl-ethane-1,2-diamine N-[2-[3-(aminomethyl)phenoxy]eth…
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) | 2.09 | 5.41 | -89.33 | 4 | 4 | 2 | 45 | 281.444 | 10 | ↓ |
Hi High (pH 8-9.5) | 2.09 | 2.94 | -43.41 | 3 | 4 | 1 | 43 | 280.436 | 10 | ↓ |
Lo Low (pH 4.5-6) | 2.09 | 7.6 | -177.69 | 5 | 4 | 3 | 46 | 282.452 | 10 | ↓ |