| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 22nd, 2011 | 20 | Yes |
Popular Name: 4-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3,5-difluoro-benzoic 4-[(4-amino-6-oxo-1H-pyrimidin-2…
| 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) | 1.83 | 4.21 | -41.7 | 3 | 6 | -1 | 112 | 298.25 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.29 | 2.24 | -100.45 | 2 | 6 | -2 | 115 | 297.242 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
