UCSF

ZINC11891661

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2008 16 Yes

Popular Name: N-(3-methoxybenzoyl)-beta-alanine N-(3-methoxybenzoyl)-beta-alanine

Find On: PubMed — Wikipedia — Google

CAS Numbers: , 914773-50-5 , [914773-50-5]

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) 0.68 2.67 -53.64 1 5 -1 78 222.22 5 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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