In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 39 | Yes |
Popular Name: [4-[5-benzyl-6-methyl-2-(m-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(1-naphthyl)methanone [4-[5-benzyl-6-methyl-2-(m-tolyl…
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) | 6.72 | 18.35 | -14.22 | 0 | 5 | 0 | 49 | 512.657 | 5 | ↓ |
Lo Low (pH 4.5-6) | 6.72 | 18.67 | -38.74 | 1 | 5 | 1 | 51 | 513.665 | 5 | ↓ |