| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| September 6th, 2011 | 14 | Yes |
Popular Name: (3-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)methanamine (3-cyclohexa-1,3-dien-1-yl-1,4-d…
| 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) | 1.52 | 3.32 | -6.47 | 2 | 3 | 0 | 52 | 191.23 | 2 | ↓ |
| Lo Low (pH 4.5-6) | 1.52 | 3.73 | -42.42 | 3 | 3 | 1 | 54 | 192.238 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
