UCSF

ZINC04293887

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 12 Yes

Popular Name: 3-(4-bromophenyl)-1H-pyrazole 3-(4-bromophenyl)-1H-pyrazole

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CAS Numbers: , 73387-46-9 , [73387-46-9]

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) 2.80 5.11 -5.04 1 2 0 29 223.073 1 ↓
Ref Reference (pH 7) 2.80 5.15 -6.43 1 2 0 29 223.073 1 ↓

Vendor Notes

Note Type Comments Provided By
MP 134-136° Fluorochem
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 97% Fluorochem
Melting_Point ca 130? (polymorphic) Alfa-Aesar
Melting_Point ca 130° (polymorphic) Alfa-Aesar
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.