UCSF

ZINC05223879

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 30 No

Popular Name: 5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylic acid, 3-[(acetyloxy)methyl]-7-[[(2-amino-4-thiazolyl)(methoxyimino)acetyl]am 5-thia-1-azabicyclo[4.2.0]oct-2-…

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CAS Number: 64485-93-4

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) -0.87 -2.7 -68.35 3 12 -1 176 454.466 8 ↓

Vendor Notes

Note Type Comments Provided By
SOLUBILITY .; H2O: aqueous solutions of pH 4.3-6.2 are stable up to 3 weeks at 2-8 °C.soluble Indofine
APPEARANCE .; white to yellow Indofine
M.P 162-163 C Indofine

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