In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
November 14th, 2010 | 20 | Yes |
Popular Name: 4-(5-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-ethyl-imidazole-1,5-diamine 4-(5-bromo-2,3-dihydro-1,4-benzo…
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) | 1.76 | 5.09 | -30.57 | 5 | 6 | 1 | 90 | 340.201 | 2 | ↓ |
Hi High (pH 8-9.5) | 1.76 | 4.69 | -10.52 | 4 | 6 | 0 | 88 | 339.193 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.