UCSF

ZINC11802314

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 10th, 2008 12 Yes

Popular Name: 1-Methyl-1,4,5,6-tetrahydro-cyclopentapyrazole-3-carboxylic acid 1-Methyl-1,4,5,6-tetrahydro-cycl…

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CAS Numbers: 854405-75-7 , [854405-75-7]

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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) 0.86 3.8 -62.38 0 4 -1 58 165.172 1 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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

No pre-computed analogs available. Try a structural similarity search.