UCSF

ZINC65749015

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 39 Yes

Popular Name: (S)-Benzyl 2-(N-((2'-(1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)pentanamido)-3-methylbutanoate (S)-Benzyl 2-(N-((2'-(1H-tetrazo…

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CAS Numbers: 137863-20-8 , 96219-78-2 , [137863-20-8]

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) 6.75 16.81 -51.86 0 8 -1 99 524.645 13 ↓
Lo Low (pH 4.5-6) 6.75 17.82 -17.4 1 8 0 101 525.653 13 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID US5399578 IBM Patent Data

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

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