| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 18 | Yes |
Popular Name: 2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-5-chloro-benzonitrile 2-[(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) | 2.10 | 4.35 | -14.12 | 3 | 5 | 0 | 96 | 278.724 | 2 | ↓ |
| Hi High (pH 8-9.5) | 2.55 | 2.4 | -48.9 | 2 | 5 | -1 | 99 | 277.716 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
