| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 19 | Yes |
Popular Name: [5-(3-hydroxyprop-1-ynyl)-3-pyridyl]-(4-methylpiperazin-1-yl)methanone [5-(3-hydroxyprop-1-ynyl)-3-pyri…
| 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) | -0.89 | 0.95 | -10.17 | 1 | 5 | 0 | 57 | 259.309 | 1 | ↓ |
| Mid Mid (pH 6-8) | -0.89 | 3.3 | -48.41 | 2 | 5 | 1 | 58 | 260.317 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
