UCSF

ZINC36333671

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 18 Yes

Popular Name: 1,1,3-trioxo-2-(prop-2-yn-1-yl)-2,3-dihydro-1$l^{6},2-benzothiazole-6-carboxylic acid 1,1,3-trioxo-2-(prop-2-yn-1-yl)-…

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CAS Number: 1156750-55-8

Other Names:

MFCD12090921

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) 0.52 2.91 -45.77 0 6 -1 95 264.238 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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