| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: 1-(3-bromo-2-thienyl)-2-(4-isobutylpiperazin-1-yl)ethanone 1-(3-bromo-2-thienyl)-2-(4-isobu…
| 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) | 3.14 | 7.83 | -37.29 | 1 | 3 | 1 | 25 | 346.314 | 5 | ↓ |
| Hi High (pH 8-9.5) | 3.14 | 5.83 | -7.7 | 0 | 3 | 0 | 24 | 345.306 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
