UCSF

ZINC00351981

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2005 15 Yes

Popular Name: 4-Benzothiazol-2-yl-butyric acid 4-Benzothiazol-2-yl-butyric acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 41387-91-1 , [41387-91-1]

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) 2.07 6.92 -50.58 0 3 -1 53 220.273 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 143° Matrix Scientific
MP 148 - 150 Enamine Building Blocks
MP 148...150 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000001692A1 IBM Patent Data

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Rings

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