UCSF

ZINC04384462

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 15 Yes

Popular Name: 2-Pyrazol-1-ylmethyl-benzoic acid 2-Pyrazol-1-ylmethyl-benzoic acid

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1333785-96-8 , 956264-39-4 , [956264-39-4]

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) 1.51 5.41 -49.11 0 4 -1 58 201.205 3 ↓

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% )