| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 2nd, 2011 | 19 | Yes |
Popular Name: (5-bromo-3-thienyl)-[4-[(2S)-2-hydroxybutyl]piperazin-1-yl]methanone (5-bromo-3-thienyl)-[4-[(2S)-2-h…
| 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) | 1.55 | 2.7 | -9.76 | 1 | 4 | 0 | 44 | 347.278 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.55 | 4.97 | -46.89 | 2 | 4 | 1 | 45 | 348.286 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
