In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
January 18th, 2009 | 25 | Yes |
Popular Name: 2-(2,6-dimethylpyrimidin-4-yl)sulfanyl-N-[4-(4-fluorophenyl)thiazol-2-yl]acetamide 2-(2,6-dimethylpyrimidin-4-yl)su…
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) | 2.96 | 8.61 | -12.91 | 1 | 5 | 0 | 68 | 374.466 | 5 | ↓ |
Hi High (pH 8-9.5) | 3.14 | 7.54 | -39.36 | 0 | 5 | -1 | 74 | 373.458 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.