UCSF

ZINC02455577

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 15 Yes

Popular Name: (1,3-Benzothiazol-2-ylmethoxy)acetic acid (1,3-Benzothiazol-2-ylmethoxy)ac…

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CAS Numbers: 99513-52-7 , [99513-52-7]

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) 1.30 5.34 -52.95 0 4 -1 62 222.245 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 143 - 145 Enamine Building Blocks
MP 143...145 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95+% Fluorochem
Warnings IRRITANT Matrix Scientific

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