UCSF

ZINC31351316

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2009 24 No

Popular Name: p-Nitrobenzyl (6R-trans)-7-amino-3-chloro-8-oxo-5-thia-1-azabicyclo[4.2.0]oct-2-ene-2-carboxylate p-Nitrobenzyl (6R-trans)-7-amino…

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CAS Numbers: [53483-70-8] , [53994-83-5]

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) 1.13 7.07 -15.88 2 8 0 118 369.786 5 ↓
Mid Mid (pH 6-8) 1.13 7.38 -61.27 3 8 1 120 370.794 5 ↓

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