UCSF

ZINC19737437

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2008 16 Yes

Popular Name: (4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl)acetic acid (4-oxo-3,4-dihydro-1,5-benzothia…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 383187-85-7 , [383187-85-7] , [3832-24-4]

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) -0.46 6.01 -58.93 0 4 -1 60 236.272 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5723457; US5723602; US5856477 IBM Patent Data

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