UCSF

ZINC11920557

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2008 12 Yes

Popular Name: 1-Isopropyl-3-methyl-1H-pyrazole-4-carboxylic acid 1-Isopropyl-3-methyl-1H-pyrazole…

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CAS Numbers: 113100-42-8 , [113100-42-8]

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) 0.85 3.82 -49.82 0 4 -1 58 167.188 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Warnings IRRITANT Matrix Scientific

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