| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: 2-[4-[(1R)-1-aminoethyl]-2-bromo-phenyl]sulfanyl-6-methyl-1H-pyrimidin-4-one 2-[4-[(1R)-1-aminoethyl]-2-bromo…
| 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) | 1.41 | 2.72 | -70.09 | 3 | 4 | 0 | 76 | 340.246 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.41 | 2.39 | -49.3 | 2 | 4 | -1 | 75 | 339.238 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.95 | 4.09 | -56.1 | 4 | 4 | 1 | 73 | 341.254 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
