| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 21 | Yes |
Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-[4-(2-hydroxyethyl)piperazin-1-yl]methanone [5-(4-hydroxybut-1-ynyl)-2-thien…
| 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) | 0.61 | 0.14 | -10.27 | 2 | 5 | 0 | 64 | 308.403 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 0.61 | 2.38 | -44.35 | 3 | 5 | 1 | 65 | 309.411 | 4 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
