| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 20 | Yes |
Popular Name: 2-[2-bromo-4-[(1S)-1-(ethylamino)ethyl]phenyl]sulfanylpyrimidin-4-ol 2-[2-bromo-4-[(1S)-1-(ethylamino…
| 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) | 3.60 | 4.66 | -79.36 | 2 | 4 | 0 | 65 | 354.273 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.60 | 3.56 | -48.19 | 1 | 4 | -1 | 61 | 353.265 | 5 | ↓ |
| Lo Low (pH 4.5-6) | 3.14 | 6.13 | -53.58 | 3 | 4 | 1 | 62 | 355.281 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
