| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 11th, 2010 | 21 | Yes |
Popular Name: 7-(4-isobutylpiperazin-1-yl)-2,3-dihydro-1,4-benzodioxin-6-amine 7-(4-isobutylpiperazin-1-yl)-2,3…
| 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) | 1.97 | 6.74 | -39.47 | 3 | 5 | 1 | 52 | 292.403 | 3 | ↓ |
| Hi High (pH 8-9.5) | 1.97 | 4.84 | -4.7 | 2 | 5 | 0 | 51 | 291.395 | 3 | ↓ |
| Lo Low (pH 4.5-6) | 1.97 | 6.61 | -111.14 | 4 | 5 | 2 | 54 | 293.411 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
