UCSF

ZINC04294487

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 16 Yes

Popular Name: 5-Diethylcarbamoyl-2-methyl-2 H -pyrazole-3-carboxylic acid 5-Diethylcarbamoyl-2-methyl-2 H …

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CAS Number: 1004727-28-9

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) 0.63 4.33 -46.42 0 6 -1 78 224.24 4 ↓

Vendor Notes

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

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

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