| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 4th, 2012 | 17 | No |
Popular Name: 5,6-diamino-1-(2-pyridylmethyl)-2-thioxo-pyrimidin-4-one 5,6-diamino-1-(2-pyridylmethyl)-…
| 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) | -0.83 | 2.09 | -16.87 | 5 | 6 | 0 | 103 | 249.299 | 2 | ↓ |
| Hi High (pH 8-9.5) | -0.37 | 0.07 | -58.71 | 4 | 6 | -1 | 106 | 248.291 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.83 | 2.42 | -45.1 | 6 | 6 | 1 | 104 | 250.307 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.