UCSF

ZINC02547934

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2004 15 Yes

Popular Name: Ethyl 5-bromo-1H-indazole-3-carboxylate Ethyl 5-bromo-1H-indazole-3-carb…

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CAS Numbers: 1081-04-5 , [1081-04-5]

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) 2.86 5.34 -6.01 1 4 0 55 269.098 3 ↓
Ref Reference (pH 7) 2.86 5.37 -8.29 1 4 0 55 269.098 3 ↓

Vendor Notes

Note Type Comments Provided By
MP 231 - 233 Enamine Building Blocks
MP 231...233 Enamine Building Blocks
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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

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