UCSF

ZINC69852914

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2011 12 Yes

Popular Name: 1,9-dioxaspiro[5.5]undecan-4-ol 1,9-dioxaspiro[5.5]undecan-4-ol

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CAS Number: 1341961-33-8

Other Names:

MFCD19651081

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) 0.50 -0.15 -4.54 1 3 0 39 172.224 0 ↓

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.