UCSF

ZINC00154219

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 2nd, 2005 15 Yes

Popular Name: Imidazo[2,1-b][1,3]benzothiazole-2-carboxylic acid hydrate Imidazo[2,1-b][1,3]benzothiazole…

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CAS Numbers: 1284226-74-9 , 64951-09-3

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) 2.35 -0.52 -60.49 0 4 -1 57 217.229 1 ↓

Vendor Notes

Note Type Comments Provided By
melting_point 256 - 258 (dec) KeyOrganics
MP 266-268° Matrix Scientific
Purity 95% Fluorochem
Warnings Irritant Matrix Scientific

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

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