In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 34 | No |
Popular Name: [4-[5-isopropyl-6-methyl-2-(p-tolyl)pyrimidin-4-yl]piperazin-1-yl]-(3-nitrophenyl)methanone [4-[5-isopropyl-6-methyl-2-(p-to…
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) | 4.60 | 14.89 | -41.01 | 1 | 8 | 1 | 96 | 460.558 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.60 | 14.57 | -15.84 | 0 | 8 | 0 | 95 | 459.55 | 5 | ↓ |