UCSF

ZINC21948222

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 18 Yes

Popular Name: [4-(4-fluorophenyl)-2-(methylamino)-1,3-thiazol-5-yl]acetic acid [4-(4-fluorophenyl)-2-(methylami…

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CAS Numbers: 1019111-19-3 , [1019111-19-3]

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) 2.35 5.85 -51.86 1 4 -1 65 265.289 4 ↓
Lo Low (pH 4.5-6) 2.35 6.23 -51.85 2 4 0 66 266.297 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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