| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 31st, 2011 | 24 | No |
Popular Name: (3R)-N-ethyl-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]-1,1-dioxo-thiolan-3-amine (3R)-N-ethyl-N-[(6-nitro-4H-1,3-…
| 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) | 1.31 | 4.94 | -61.52 | 1 | 8 | 1 | 103 | 357.408 | 5 | ↓ |
| Mid Mid (pH 6-8) | 1.31 | 3.1 | -16.7 | 0 | 8 | 0 | 102 | 356.4 | 5 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
