UCSF

ZINC04206405

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 20 No

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

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CAS Number: 400752-43-4

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) 2.22 1.83 -56.02 0 7 -1 103 274.256 4 ↓

Vendor Notes

Note Type Comments Provided By
MP 16 - 18 Enamine Building Blocks
MP 16...18 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks

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