In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
April 15th, 2006 | 28 | Yes |
Popular Name: 2-[(5-cyano-4-oxo-6-phenyl-1H-pyrimidin-2-yl)sulfanyl]-N-(3-methoxyphenyl)-acetamide 2-[(5-cyano-4-oxo-6-phenyl-1H-py…
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) | 3.35 | 6.87 | -23.79 | 2 | 7 | 0 | 108 | 392.44 | 6 | ↓ |
Hi High (pH 8-9.5) | 3.80 | 5.76 | -52.72 | 1 | 7 | -1 | 111 | 391.432 | 6 | ↓ |