UCSF

ZINC16125174

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 22nd, 2008 12 Yes

Popular Name: 1-(4-Bromophenyl)-1H-pyrazole 1-(4-Bromophenyl)-1H-pyrazole

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CAS Numbers: 13788-92-6 , [13788-92-6]

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) 2.47 6.32 -6.04 0 2 0 18 223.073 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 69 - 71 Enamine Building Blocks
MP 69...71 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Purity 95+% Matrix Scientific
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.