UCSF

ZINC36720443

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 17 Yes

Popular Name: 1-(2,5-dimethylphenyl)-5-methyl-1H-pyrazole-4-carboxylic acid 1-(2,5-dimethylphenyl)-5-methyl-…

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CAS Number: 1152589-04-2

Other Names:

MFCD11132834

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) 2.63 8.22 -50.17 0 4 -1 58 229.259 2 ↓

Vendor Notes

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

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