| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 19th, 2011 | 20 | Yes |
Popular Name: [(2S,6R)-2,6-dimethylpiperazin-1-yl]-(1-isoquinolyl)methanone [(2S,6R)-2,6-dimethylpiperazin-1…
| 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) | 1.68 | 5.46 | -50.1 | 2 | 4 | 1 | 50 | 270.356 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.68 | 4.15 | -9.84 | 1 | 4 | 0 | 45 | 269.348 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
