| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: 2-[2-bromo-4-[(1R)-1-(methylamino)ethyl]phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one 2-[2-bromo-4-[(1R)-1-(methylamin…
| 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) | 3.66 | 4.49 | -64.77 | 2 | 4 | 0 | 65 | 354.273 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.66 | 3.32 | -49.43 | 1 | 4 | -1 | 61 | 353.265 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 3.21 | 5.87 | -50.94 | 3 | 4 | 1 | 62 | 355.281 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
