UCSF

ZINC57218603

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2011 14 Yes

Popular Name: 1-(3-Hydroxy-5,6,7,8-tetrahydronaphthalen-2-yl)ethanone 1-(3-Hydroxy-5,6,7,8-tetrahydron…

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CAS Numbers: 40420-05-1 , [40420-05-1]

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) 2.94 6.04 -8.43 1 2 0 37 190.242 1 ↓
Hi High (pH 8-9.5) 2.94 7.05 -56.3 0 2 -1 40 189.234 1 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

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