UCSF

ZINC04128392

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2005 17 No

Popular Name: 3-(3-Methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl)benzenesulfonic acid 3-(3-Methyl-5-oxo-4,5-dihydro-1H…

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CAS Numbers: 119-17-5 , [119-17-5]

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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) -1.25 -5.21 -53.3 0 6 -1 89 253.259 2 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )