| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| November 14th, 2010 | 19 | Yes |
Popular Name: 4-(9-bromo-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)imidazole-1,5-diamine 4-(9-bromo-3,4-dihydro-2H-1,5-be…
| 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) | 1.37 | 5.4 | -38.04 | 5 | 6 | 1 | 90 | 326.174 | 1 | ↓ |
| Mid Mid (pH 6-8) | 1.37 | 4.98 | -10.17 | 4 | 6 | 0 | 88 | 325.166 | 1 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
