In ZINC since | Heavy atoms | Benign functionality |
---|---|---|
October 28th, 2010 | 19 | Yes |
Popular Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1H-imidazole-4-carboxylic 2-(3,4-dihydro-2H-1,5-benzodioxe…
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) | 1.63 | 5.48 | -60.51 | 1 | 6 | -1 | 87 | 259.241 | 2 | ↓ |
Mid Mid (pH 6-8) | 1.63 | 5.88 | -36.07 | 2 | 6 | 0 | 89 | 260.249 | 2 | ↓ |
No pre-computed analogs available. Try a structural similarity search.