UCSF

ZINC10778848

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Substance Information

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

Popular Name: 3-(Isobutyrylamino)-4-methylbenzoic acid 3-(Isobutyrylamino)-4-methylbenz…

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CAS Numbers: 915921-46-9 , [915921-46-9]

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) 2.53 0.66 -65.58 1 4 -1 69 220.248 3 ↓

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% )