In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
September 10th, 2011 | 26 | Yes |
Popular Name: 5-[4-hydroxy-4-(5-methyl-2-pyridyl)piperidine-1-carbonyl]-2-isopropyl-1H-pyrimidin-6-one 5-[4-hydroxy-4-(5-methyl-2-pyrid…
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) | 0.26 | 4.1 | -22.03 | 2 | 7 | 0 | 99 | 356.426 | 3 | ↓ |
Hi High (pH 8-9.5) | 0.71 | 1.89 | -60.25 | 1 | 7 | -1 | 102 | 355.418 | 3 | ↓ |
Lo Low (pH 4.5-6) | 0.26 | 4.61 | -43.13 | 3 | 7 | 1 | 100 | 357.434 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.