In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
June 5th, 2011 | 23 | No |
Popular Name: 2-[(4-oxo-6-phenyl-5H-pyrimidin-2-yl)sulfanyl]-N-[(3R)-3H-1,2,4-triazol-3-yl]acetamide 2-[(4-oxo-6-phenyl-5H-pyrimidin-…
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) | 0.50 | 5.41 | -49.78 | 1 | 8 | -1 | 119 | 327.349 | 5 | ↓ |
Lo Low (pH 4.5-6) | 0.49 | 6.06 | -20.62 | 2 | 8 | 0 | 116 | 328.357 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.