| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 4th, 2010 | 21 | Yes |
Popular Name: [5-(4-hydroxybut-1-ynyl)-2-thienyl]-(4-isopropylpiperazin-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) | 1.92 | 6.15 | -42.51 | 2 | 4 | 1 | 45 | 307.439 | 3 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 3.96 | -8.22 | 1 | 4 | 0 | 44 | 306.431 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
