| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 10th, 2010 | 19 | Yes |
Popular Name: 1-(3-bromo-2-thienyl)-2-[4-[(1S)-1-methylpropyl]piperazin-1-yl]ethanone 1-(3-bromo-2-thienyl)-2-[4-[(1S)…
| 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) | 3.23 | 7.5 | -35.75 | 1 | 3 | 1 | 25 | 346.314 | 5 | ↓ |
| Mid Mid (pH 6-8) | 3.23 | 5.56 | -7.56 | 0 | 3 | 0 | 24 | 345.306 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
