In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
August 3rd, 2010 | 21 | Yes |
Popular Name: 2-[2-dimethylaminoethyl(propyl)amino]-1-(2,4,6-trimethylphenyl)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) | 3.60 | 9.74 | -35.11 | 1 | 3 | 1 | 25 | 291.459 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.60 | 7.26 | -5.89 | 0 | 3 | 0 | 24 | 290.451 | 8 | ↓ |
Hi High (pH 8-9.5) | 3.60 | 9.29 | -36.05 | 1 | 3 | 1 | 25 | 291.459 | 8 | ↓ |
Lo Low (pH 4.5-6) | 3.60 | 11.77 | -109.56 | 2 | 3 | 2 | 26 | 292.467 | 8 | ↓ |