In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 26th, 2011 | 29 | Yes |
Popular Name: 3-cyclohexyl-1-[4-[6-methyl-2-(4-pyridyl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one 3-cyclohexyl-1-[4-[6-methyl-2-(4…
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) | 3.73 | 11.87 | -14.45 | 0 | 6 | 0 | 62 | 393.535 | 5 | ↓ |
Lo Low (pH 4.5-6) | 3.73 | 12.21 | -41.07 | 1 | 6 | 1 | 63 | 394.543 | 5 | ↓ |