| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| July 24th, 2010 | 24 | Yes |
Popular Name: (4S)-4-(1,3-benzodioxole-5-carbonyl)-2-methyl-5-(4-pyridyl)-4H-pyrazol-3-one (4S)-4-(1,3-benzodioxole-5-carbo…
| 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) | 1.49 | 4.65 | -17.29 | 1 | 7 | 0 | 86 | 323.308 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.49 | 5.1 | -52.68 | 2 | 7 | 1 | 87 | 324.316 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.