UCSF

ZINC03886324

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2005 15 No

Popular Name: ethyl 2-amino-4-isobutylthiophene-3-carboxylate ethyl 2-amino-4-isobutylthiophen…

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CAS Number: 72965-15-2

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) 2.57 5.69 -7.53 2 3 0 52 227.329 5 ↓

Vendor Notes

Note Type Comments Provided By
MP 58 - 60 Enamine Building Blocks
MP 58...60 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0609371A1; EP0609371B1; US5284847 IBM Patent Data

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