| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| April 20th, 2010 | 29 | Yes |
Popular Name: 4-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-6-methyl-cinnoline-3-carbonitrile 4-[4-(1,3-benzodioxol-5-ylmethyl…
| 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) | 3.56 | 10.21 | -52.11 | 1 | 7 | 1 | 76 | 388.451 | 3 | ↓ |
| Mid Mid (pH 6-8) | 3.56 | 8 | -12.09 | 0 | 7 | 0 | 75 | 387.443 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
