| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| May 13th, 2011 | 19 | Yes |
Popular Name: 4-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-chloro-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) | 2.25 | 4.56 | -46.78 | 3 | 6 | -1 | 112 | 296.715 | 3 | ↓ |
| Hi High (pH 8-9.5) | 2.71 | 2.59 | -104.48 | 2 | 6 | -2 | 115 | 295.707 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
