In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 13th, 2010 | 26 | Yes |
Popular Name: 3-cyclohexyl-1-[4-(2-isopropyl-6-methyl-pyrimidin-4-yl)piperazin-1-yl]propan-1-one 3-cyclohexyl-1-[4-(2-isopropyl-6…
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) | 4.05 | 11.56 | -12.2 | 0 | 5 | 0 | 49 | 358.53 | 5 | ↓ |
Mid Mid (pH 6-8) | 4.05 | 12.03 | -35.38 | 1 | 5 | 1 | 51 | 359.538 | 5 | ↓ |