UCSF

ZINC01256608

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 14th, 2004 18 Yes

Popular Name: Methyl 3'-cyano-[1,1'-biphenyl]-3-carboxylate Methyl 3'-cyano-[1,1'-biphenyl]-…

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CAS Numbers: 168619-12-3 , [168619-12-3]

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) 3.61 4.25 -9.09 0 3 0 50 237.258 3 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem

Activity (Go SEA)

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