| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 20th, 2011 | 25 | Yes |
Popular Name: N-isohexyl-3-[4-methyl-6-oxo-2-(4-pyridyl)-1H-pyrimidin-5-yl]propanamide N-isohexyl-3-[4-methyl-6-oxo-2-(…
| 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) | 2.38 | 6.58 | -14.29 | 2 | 6 | 0 | 88 | 342.443 | 8 | ↓ |
| Hi High (pH 8-9.5) | 2.84 | 4.74 | -50.78 | 1 | 6 | -1 | 91 | 341.435 | 8 | ↓ |
| Lo Low (pH 4.5-6) | 2.38 | 7.04 | -52.84 | 3 | 6 | 1 | 89 | 343.451 | 8 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
