UCSF

ZINC00158621

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 12 Yes

Popular Name: 1,3-Benzothiazole-2-carboxylic acid 1,3-Benzothiazole-2-carboxylic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 06/04/22 , 116571-10-9 , 3622-04-6 , 879683-41-7 , [3622-04-6]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 1.68 3.73 -52.24 0 3 -1 53 178.192 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 106° (dec) Matrix Scientific
MP 106°(dec.) Oakwood Chemical
MP 389 - 391 Enamine Building Blocks
MP 389...391 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000008020A2 IBM Patent Data

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

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