UCSF

ZINC00818981

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2005 13 Yes

Popular Name: 3-(3,4,5-trimethyl-1H-pyrazol-1-yl)propanoic acid 3-(3,4,5-trimethyl-1H-pyrazol-1-…

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CAS Numbers: 890593-69-8 , [890593-69-8]

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) 0.72 5.48 -45.33 0 4 -1 58 181.215 3 ↓
Lo Low (pH 4.5-6) 0.72 5.58 -40.33 1 4 0 59 182.223 3 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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