UCSF

ZINC06879046

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2006 30 Yes

Popular Name: 4-{2-[5-(4-Cyano-phenoxymethyl)-[1,3,4]oxadiazol-2-ylsulfanyl]-acetylamino}-benzoic acid methyl ester 4-{2-[5-(4-Cyano-phenoxymethyl)-…

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CAS Number: 332127-14-7

Other Names:

MFCD01818017

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) 2.54 -0.68 -20.4 1 9 0 127 424.438 9 ↓

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

No pre-computed analogs available. Try a structural similarity search.