UCSF

ZINC13279012

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 13th, 2008 28 Yes

Popular Name: 4-bromo-3-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylsulfamoyl)benzoic 4-bromo-3-(spiro[1,3-benzodioxol…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

Physical Representations

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) 5.22 6.52 -50.31 1 7 -1 105 467.317 4 ↓
Hi High (pH 8-9.5) 5.22 6.6 -100.43 0 7 -2 107 466.309 4 ↓

Activity (Go SEA)

Rings

Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.