UCSF

ZINC16082603

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2008 14 Yes

Popular Name: 4-Amino-3-fluorobenzoic acid allyl ester 4-Amino-3-fluorobenzoic acid all…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 262433-55-6 , 73792-12-8 , [262433-55-6]

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) 2.33 4.62 -7.09 2 3 0 52 195.193 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
Warnings IRRITANT Matrix Scientific
PUBCHEM_PATENT_ID WO2000016769A1 IBM Patent Data

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

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