In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 25th, 2010 | 29 | Yes |
Popular Name: 2-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]-N-(4-pentylphenyl)acetamide 2-[4-methyl-6-oxo-2-(4-pyridyl)-…
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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) | 4.01 | 9.58 | -17.47 | 2 | 6 | 0 | 88 | 390.487 | 8 | ↓ |
Hi High (pH 8-9.5) | 4.46 | 7.77 | -57.24 | 1 | 6 | -1 | 91 | 389.479 | 8 | ↓ |
Lo Low (pH 4.5-6) | 4.01 | 10.03 | -52.62 | 3 | 6 | 1 | 89 | 391.495 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.