UCSF

ZINC40448459

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 15 Yes

Popular Name: 4-Chloro-6,7-dimethylenedioxyquinazoline 4-Chloro-6,7-dimethylenedioxyqui…

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CAS Numbers: 52791-05-6 , [52791-05-6]

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) 1.82 4.15 -6.45 0 4 0 44 222.631 0 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific

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Rings

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

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