UCSF

ZINC19438792

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 17 Yes

Popular Name: 4-({5-bromo-1H-pyrazolo[3,4-b]pyridin-1-yl}methyl)pyridine 4-({5-bromo-1H-pyrazolo[3,4-b]py…

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CAS Number: 1016773-12-8

Other Names:

MFCD09933776

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) 2.06 6.38 -7.53 0 4 0 44 289.136 2 ↓
Lo Low (pH 4.5-6) 2.06 6.81 -36.26 1 4 1 45 290.144 2 ↓

Vendor Notes

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

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Rings

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

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