UCSF

ZINC02789071

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 23 No

Popular Name: Isopropyl 2-amino-4-(4-isobutylphenyl)-5-methylthiophene-3-carboxylate Isopropyl 2-amino-4-(4-isobutylp…

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CAS Numbers: , 438197-25-2

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) 4.95 1.13 -8.53 2 3 0 52 331.481 6 ↓

Vendor Notes

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Warnings IRRITANT Matrix Scientific

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Rings

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

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