| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 18 | Yes |
Popular Name: N'-[(6-chloro-4H-1,3-benzodioxin-8-yl)methyl]-N,N'-dimethyl-ethane-1,2-diamine N'-[(6-chloro-4H-1,3-benzodioxin…
| 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) | 1.92 | 5.99 | -112.97 | 3 | 4 | 2 | 40 | 272.776 | 5 | ↓ |
| Hi High (pH 8-9.5) | 1.92 | 4.54 | -34.82 | 2 | 4 | 1 | 35 | 271.768 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.92 | 3.65 | -39.6 | 2 | 4 | 1 | 38 | 271.768 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
