UCSF

ZINC66054456

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 16 Yes

Popular Name: 2-(tert-Butyl)-4-chlorooxazolo[4,5-c]pyridine-7-carbonitrile 2-(tert-Butyl)-4-chlorooxazolo[4…

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CAS Number: 1346447-42-4

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) 3.12 3.17 -6.28 0 4 0 63 235.674 1 ↓

Vendor Notes

Note Type Comments Provided By
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.