In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 29th, 2009 | 27 | Yes |
Popular Name: 2-[(3,4-dimethylphenyl)methylsulfanyl]-5-[(4-ethylphenyl)methyl]-6-methyl-3H-pyrimidin-4-one 2-[(3,4-dimethylphenyl)methylsul…
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) | 7.06 | 11.97 | -48.46 | 0 | 3 | -1 | 49 | 377.533 | 6 | ↓ |
Mid Mid (pH 6-8) | 6.60 | 13.08 | -10.35 | 1 | 3 | 0 | 46 | 378.541 | 6 | ↓ |