In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 7th, 2008 | 23 | Yes |
Popular Name: [2-(4-ethylpiperazin-1-yl)-4-methyl-pyrimidin-5-yl]-(1-piperidyl)methanone [2-(4-ethylpiperazin-1-yl)-4-met…
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) | 1.32 | 8.35 | -41.19 | 1 | 6 | 1 | 54 | 318.445 | 3 | ↓ |
Mid Mid (pH 6-8) | 1.32 | 5.97 | -7.46 | 0 | 6 | 0 | 53 | 317.437 | 3 | ↓ |