In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 29th, 2010 | 18 | Yes |
Popular Name: 1-(3,4-dimethylphenyl)-2-[isopentyl(methyl)amino]ethanone 1-(3,4-dimethylphenyl)-2-[isopen…
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) | 3.97 | 10.38 | -39.68 | 1 | 2 | 1 | 22 | 248.39 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.97 | 8.11 | -6.72 | 0 | 2 | 0 | 20 | 247.382 | 6 | ↓ |