UCSF

ZINC43827840

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 14 Yes

Popular Name: methyl 1-(tert-butyl)-5-methyl-1H-pyrazole-4-carboxylate methyl 1-(tert-butyl)-5-methyl-1…

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CAS Numbers: 950858-97-6 , N/A , [950858-97-6]

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) 1.55 5.13 -7.3 0 4 0 44 196.25 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity >95% Matrix Scientific
Warnings IRRITANT Matrix Scientific
melting_point Oil KeyOrganics

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