| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 19 | Yes |
Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-(4-methylpiperazin-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) | 1.24 | 2.61 | -8.54 | 1 | 4 | 0 | 44 | 278.377 | 2 | ↓ |
| Mid Mid (pH 6-8) | 1.24 | 4.99 | -46.07 | 2 | 4 | 1 | 45 | 279.385 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
