UCSF

ZINC12396620

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 12th, 2008 10 No

Popular Name: 1-Isopropyl-1H-pyrazole-4-carbaldehyde 1-Isopropyl-1H-pyrazole-4-carbal…

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CAS Numbers: 313735-67-0 , [313735-67-0]

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) 0.84 3.42 -10.68 0 3 0 35 138.17 2 ↓

Vendor Notes

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

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

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