| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 17 | Yes |
Popular Name: 4-amino-2-[(5-amino-3-methyl-2-pyridyl)sulfanyl]-1H-pyrimidin-6-one 4-amino-2-[(5-amino-3-methyl-2-p…
| 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) | 1.03 | 1.17 | -13.22 | 5 | 6 | 0 | 111 | 249.299 | 2 | ↓ |
| Hi High (pH 8-9.5) | 1.49 | -0.52 | -57.29 | 4 | 6 | -1 | 114 | 248.291 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 0.51 | -42.44 | 6 | 6 | 1 | 112 | 250.307 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
