UCSF

ZINC01732286

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 12 Yes

Popular Name: 4-Bromo-3,5-dichlorobenzoic acid 4-Bromo-3,5-dichlorobenzoic acid

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CAS Numbers: 117738-75-7 , [117738-75-7]

Download: MOL2 SDF SMILES Flexibase

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) 3.87 -0.2 -38.68 0 2 -1 40 268.901 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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

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