| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 7th, 2010 | 21 | Yes |
Popular Name: [5-(3-hydroxyprop-1-ynyl)-3-pyridyl]-(4-isopropylpiperazin-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) | -0.22 | 4.46 | -43.4 | 2 | 5 | 1 | 58 | 288.371 | 2 | ↓ |
| Mid Mid (pH 6-8) | -0.22 | 2.32 | -10.19 | 1 | 5 | 0 | 57 | 287.363 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
