| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 29th, 2011 | 18 | No |
Popular Name: 4-{[(4-amino-6-oxo-1,6-dihydropyrimidin-2-yl)sulfanyl]methyl}benzonitrile 4-{[(4-amino-6-oxo-1,6-dihydropy…
| 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) | 0.89 | 4.33 | -17.07 | 2 | 5 | 0 | 92 | 258.306 | 3 | ↓ |
| Hi High (pH 8-9.5) | 0.89 | 4.39 | -32.56 | 1 | 5 | -1 | 89 | 257.298 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.89 | 4.75 | -50.51 | 3 | 5 | 1 | 93 | 259.314 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.