UCSF

ZINC25540797

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2009 32 No

Popular Name: Benzothiazolium,2-[3-(3-ethyl-2(3H)-benzothiazolylidene)-2-methyl-1-propen-1-yl]-3-(3-sulfobutyl)-,inner salt Benzothiazolium,2-[3-(3-ethyl-2(…

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CAS Number: 28789-08-4

Other Names:

MFCD00666966

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) 0.41 12.36 -44.45 0 5 0 66 486.684 7 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0515894A1 IBM Patent Data

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