| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 15th, 2011 | 19 | Yes |
Popular Name: (1R)-1-(3-bromo-4-pyrimidin-2-ylsulfanyl-phenyl)-N-ethyl-ethanamine (1R)-1-(3-bromo-4-pyrimidin-2-yl…
| 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) | 3.48 | 8.01 | -47.75 | 2 | 3 | 1 | 42 | 339.282 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.48 | 6.9 | -6.99 | 1 | 3 | 0 | 38 | 338.274 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
