| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 24th, 2010 | 20 | Yes |
Popular Name: 3-[4-(2,2,2-trifluoroethyl)piperazine-1-carbonyl]-1H-pyridazin-6-one 3-[4-(2,2,2-trifluoroethyl)piper…
| 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) | 0.64 | -0.56 | -41.31 | 0 | 6 | -1 | 72 | 289.237 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.18 | 3.32 | -50.21 | 2 | 6 | 1 | 70 | 291.253 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.64 | 1.48 | -63.41 | 1 | 6 | 0 | 74 | 290.245 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 0.18 | 1.24 | -9.99 | 1 | 6 | 0 | 69 | 290.245 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
