UCSF

ZINC10779182

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2007 16 Yes

Popular Name: 3-(Butyrylamino)-4-methylbenzoic acid 3-(Butyrylamino)-4-methylbenzoic…

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CAS Numbers: 915921-48-1 , [915921-48-1]

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) 2.84 0.44 -65.93 1 4 -1 69 220.248 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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