| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| October 6th, 2005 | 18 | Yes |
Popular Name: 4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-oxobutanoic acid 4-(3,4-dihydro-2H-1,5-benzodioxe…
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CAS Numbers: 175136-33-1 , [175136-33-1]
| 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) | 1.03 | 6.43 | -46.72 | 0 | 5 | -1 | 76 | 249.242 | 4 | ↓ |
| Lo Low (pH 4.5-6) | 1.03 | 4.45 | -11.1 | 1 | 5 | 0 | 73 | 250.25 | 4 | ↓ |
| Note Type | Comments | Provided By |
|---|---|---|
| purity | 9.500000000000000e+001 | Enamine Building Blocks Enamine Building Blocks |
No pre-computed analogs available. Try a structural similarity search.