UCSF

ZINC03880848

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 2005 12 Yes

Popular Name: Benzothiazole-5-carboxylic acid Benzothiazole-5-carboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 68867-17-4 , [68867-17-4]

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) 2.26 -0.71 -51.26 0 3 -1 53 178.192 1 ↓

Vendor Notes

Note Type Comments Provided By
Purity 96% Matrix Scientific
Purity 97% Fluorochem
Warnings IRRITANT Matrix Scientific

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