In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 22 | Yes |
Popular Name: [4-methyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-(1-piperidyl)methanone [4-methyl-2-(4-methylpiperazin-1…
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) | 0.94 | 7.71 | -42.71 | 1 | 6 | 1 | 54 | 304.418 | 2 | ↓ |
Mid Mid (pH 6-8) | 0.94 | 5.24 | -7.76 | 0 | 6 | 0 | 53 | 303.41 | 2 | ↓ |