| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: 2-(4-isobutylpiperazin-1-yl)-1-(5-methyl-2-thienyl)ethanone 2-(4-isobutylpiperazin-1-yl)-1-(…
| 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) | 2.62 | 8.02 | -35.64 | 1 | 3 | 1 | 25 | 281.445 | 5 | ↓ |
| Hi High (pH 8-9.5) | 2.62 | 6.03 | -6.33 | 0 | 3 | 0 | 24 | 280.437 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
