In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
December 9th, 2008 | 31 | Yes |
Popular Name: (3,4-dimethylphenyl)-[4-[2-methyl-6-(p-tolylamino)pyrimidin-4-yl]piperazin-1-yl]methanone (3,4-dimethylphenyl)-[4-[2-methy…
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) | 4.39 | 11.99 | -40 | 2 | 6 | 1 | 63 | 416.549 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.39 | 11.83 | -35.63 | 2 | 6 | 1 | 63 | 416.549 | 4 | ↓ |
Mid Mid (pH 6-8) | 4.39 | 11.55 | -12.77 | 1 | 6 | 0 | 61 | 415.541 | 4 | ↓ |