| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 9th, 2011 | 20 | Yes |
Popular Name: (2S,3R)-2-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-1-methyl-azepan-3-amine (2S,3R)-2-(5-bromo-2,3-dihydro-1…
| 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) | 2.14 | 2.95 | -41.4 | 3 | 4 | 1 | 49 | 342.257 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 5.07 | -37.41 | 3 | 4 | 1 | 49 | 342.257 | 1 | ↓ |
| Lo Low (pH 4.5-6) | 2.14 | 5.2 | -112.87 | 4 | 4 | 2 | 51 | 343.265 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
