| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: 2-[2-bromo-4-[(1S)-1-(methylamino)ethyl]phenyl]sulfanylpyrimidin-4-ol 2-[2-bromo-4-[(1S)-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) | 3.22 | 3.8 | -81.11 | 2 | 4 | 0 | 65 | 340.246 | 4 | ↓ |
| Hi High (pH 8-9.5) | 3.22 | 2.63 | -46.65 | 1 | 4 | -1 | 61 | 339.238 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 2.77 | 5.3 | -54.92 | 3 | 4 | 1 | 62 | 341.254 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
