UCSF

ZINC02492126

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2004 16 No

Popular Name: 4-(3,5-Dimethyl-4-nitro-1H-pyrazol-1-yl)butanoic acid 4-(3,5-Dimethyl-4-nitro-1H-pyraz…

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CAS Numbers: , 898050-13-0

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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) 0.50 6.46 -47.05 0 7 -1 104 226.212 5 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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