UCSF

ZINC71790279

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 9 Yes

Popular Name: 3H,4H,5H,6H,7H-[1,2,3]triazolo[4,5-c]pyridine 3H,4H,5H,6H,7H-[1,2,3]triazolo[4…

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CAS Number: 706757-05-3

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) -0.14 -0.36 -50.19 2 4 0 56 124.147 0 ↓
Hi High (pH 8-9.5) -0.14 -1.74 -39.18 1 4 -1 52 123.139 0 ↓
Mid Mid (pH 6-8) -0.14 -0.35 -46.41 3 4 1 58 125.155 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 154 - 156 Enamine Building Blocks
MP 154...156 Enamine Building Blocks
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.