UCSF

ZINC71790263

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Substance Information

In ZINC since Heavy atoms Benign functionality
February 2nd, 2012 18 Yes

Popular Name: 1-{5H,6H,7H,8H,9H-[1,2,4]triazolo[4,3-a]azepin-3-yl}-6-azaspiro[2.5]octane dihydrochloride 1-{5H,6H,7H,8H,9H-[1,2,4]triazol…

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CAS Numbers: 1354952-10-5 , 1355004-69-1

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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) 0.75 7.63 -47.9 2 4 1 47 247.366 1 ↓

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.