UCSF

ZINC00442703

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 19 No

Popular Name: Isopropyl 2-amino-4-(4-methylphenyl)thiophene-3-carboxylate Isopropyl 2-amino-4-(4-methylphe…

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CAS Numbers: 350997-25-0 , [350997-25-0]

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) 3.88 0.49 -9.31 2 3 0 52 275.373 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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