| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 25th, 2011 | 19 | No |
Popular Name: (4R)-4-(2-aminoethyl)-2-(6-methylpyrimidin-4-yl)-5-propyl-4H-pyrazol-3-one (4R)-4-(2-aminoethyl)-2-(6-methy…
| 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) | 0.65 | 5.3 | -56.21 | 3 | 6 | 1 | 86 | 262.337 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 4.91 | -14.55 | 2 | 6 | 0 | 84 | 261.329 | 5 | ↓ |
| Hi High (pH 8-9.5) | 0.65 | 4.91 | -12.86 | 2 | 6 | 0 | 84 | 261.329 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
