In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 4th, 2010 | 21 | No |
Popular Name: 2-[4-methyl-6-(4-methyl-1-piperidyl)pyrimidin-2-yl]phenol 2-[4-methyl-6-(4-methyl-1-piperi…
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) | 2.81 | 10.77 | -50.74 | 1 | 4 | 1 | 47 | 284.383 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.22 | 9.46 | -30.52 | 1 | 4 | 0 | 49 | 283.375 | 1 | ↓ |
Mid Mid (pH 6-8) | 3.22 | 9.8 | -79.4 | 2 | 4 | 1 | 50 | 284.383 | 1 | ↓ |
Lo Low (pH 4.5-6) | 3.22 | 9.75 | -42.38 | 2 | 4 | 1 | 50 | 284.383 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.