| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 17 | No |
Popular Name: (4R)-4-(2-aminoethyl)-5-methyl-2-(6-methylpyrimidin-4-yl)-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-5-methyl-2…
| 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) | -0.41 | 3.72 | -55.42 | 3 | 6 | 1 | 86 | 234.283 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.41 | 3.33 | -15.37 | 2 | 6 | 0 | 84 | 233.275 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.41 | 3.29 | -13.68 | 2 | 6 | 0 | 84 | 233.275 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
