In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 13th, 2008 | 17 | Yes |
Popular Name: N-[(1R)-1-(4-ethoxyphenyl)ethyl]-N',N'-dimethyl-ethane-1,2-diamine N-[(1R)-1-(4-ethoxyphenyl)ethyl]…
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) | 2.52 | 5.1 | -41.96 | 2 | 3 | 1 | 29 | 237.367 | 7 | ↓ |
Hi High (pH 8-9.5) | 2.52 | 3.83 | -3.61 | 1 | 3 | 0 | 24 | 236.359 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 6.38 | -37.83 | 2 | 3 | 1 | 26 | 237.367 | 7 | ↓ |
Mid Mid (pH 6-8) | 2.52 | 7.38 | -115.28 | 3 | 3 | 2 | 30 | 238.375 | 7 | ↓ |