| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 18th, 2011 | 21 | Yes |
Popular Name: 2,4-dioxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyrimidine-6-carboxamide 2,4-dioxo-N-(1,2,3,4-tetrahydroi…
| 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) | 0.44 | -2.34 | -35.43 | 3 | 7 | -1 | 110 | 285.283 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.02 | -0.58 | -12 | 4 | 7 | 0 | 107 | 286.291 | 2 | ↓ |
| Mid Mid (pH 6-8) | 0.44 | -0.98 | -67.45 | 4 | 7 | 0 | 115 | 286.291 | 2 | ↓ |
| Lo Low (pH 4.5-6) | -0.02 | 0.77 | -55.38 | 5 | 7 | 1 | 111 | 287.299 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
