| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 20 | Yes |
Popular Name: [5-(4-hydroxybut-1-ynyl)-3-pyridyl]-(4-methylpiperazin-1-yl)methanone [5-(4-hydroxybut-1-ynyl)-3-pyrid…
| 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) | -0.62 | 1.73 | -8.81 | 1 | 5 | 0 | 57 | 273.336 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.62 | 4.08 | -46.31 | 2 | 5 | 1 | 58 | 274.344 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
