| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 19th, 2008 | 15 | Yes |
2-(5-Amino-3-methyl-1H-pyrazol-1-yl)-6-methylpyrimidin-4(3H)-one
2-(5-Amino-3-methyl-pyrazol-1-yl)-6-methyl-3H-pyrimidin-4-one
| 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) | 0.20 | 3.95 | -31.85 | 3 | 6 | 0 | 90 | 205.221 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | 3.63 | -51.82 | 2 | 6 | -1 | 93 | 204.213 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.65 | 3.73 | -34.81 | 3 | 6 | 0 | 94 | 205.221 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 4.95 | -34.84 | 4 | 6 | 1 | 91 | 206.229 | 1 | ↓ |
| Mid Mid (pH 6-8) | 0.20 | 4.78 | -10.4 | 3 | 6 | 0 | 90 | 205.221 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 0.20 | 4.6 | -43.22 | 4 | 6 | 1 | 91 | 206.229 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
