UCSF

ZINC61448703

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 19 Yes

Popular Name: 2-{6-methyl-[1,2,4]triazolo[4,3-b]pyridazin-3-yl}benzoic acid 2-{6-methyl-[1,2,4]triazolo[4,3-…

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CAS Number: 1423029-05-3

Other Names:

MFCD17593704

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) 1.73 7.63 -72.16 0 6 -1 83 253.241 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.