UCSF

ZINC00508026

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Substance Information

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

Popular Name: 4-(4-Bromo-3,5-dimethyl-pyrazol-1-ylmethyl)-benzoic acid 4-(4-Bromo-3,5-dimethyl-pyrazol-…

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CAS Number: 376372-41-7

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) 3.07 0.52 -53.94 0 4 -1 57 308.155 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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