In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 14th, 2009 | 33 | Yes |
Popular Name: [4-[2-(4-chlorophenyl)-5,6-dimethyl-pyrimidin-4-yl]piperazin-1-yl]-(2-naphthyl)methanone [4-[2-(4-chlorophenyl)-5,6-dimet…
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) | 5.49 | 15.09 | -11.25 | 0 | 5 | 0 | 49 | 456.977 | 3 | ↓ |
Mid Mid (pH 6-8) | 5.49 | 15.41 | -38.72 | 1 | 5 | 1 | 51 | 457.985 | 3 | ↓ |