| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 18 | Yes |
Popular Name: 2-(5-Amino-3-tert-butyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one 2-(5-Amino-3-tert-butyl-1H-pyraz…
| 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) | 1.92 | 5.79 | -31.67 | 3 | 6 | 0 | 90 | 247.302 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 5.5 | -52.63 | 2 | 6 | -1 | 93 | 246.294 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 6.02 | -47.05 | 4 | 6 | 1 | 91 | 248.31 | 2 | ↓ |
| Mid Mid (pH 6-8) | 2.38 | 4.58 | -35.43 | 3 | 6 | 0 | 94 | 247.302 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 6.64 | -9.9 | 3 | 6 | 0 | 90 | 247.302 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.92 | 6.72 | -31.87 | 4 | 6 | 1 | 91 | 248.31 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
