UCSF

ZINC32919545

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 13 No

Popular Name: 1-(4-chloro-1,2,5-thiadiazol-3-yl)azepane 1-(4-chloro-1,2,5-thiadiazol-3-y…

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CAS Numbers: 1119451-34-1 , [1119451-34-1]

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) 2.97 3.41 -2.05 0 3 0 29 217.725 1 ↓

Vendor Notes

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

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