In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 19 | Yes |
Popular Name: 2-[2-dimethylaminoethyl(propyl)amino]-1-(4-hydroxyphenyl)ethanone 2-[2-dimethylaminoethyl(propyl)a…
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) | 1.92 | 4.97 | -36.91 | 2 | 4 | 1 | 45 | 265.377 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 2.48 | -8.53 | 1 | 4 | 0 | 44 | 264.369 | 8 | ↓ |
Hi High (pH 8-9.5) | 1.92 | 5.73 | -61.79 | 1 | 4 | 0 | 48 | 264.369 | 8 | ↓ |