UCSF

ZINC06718467

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2006 8 Yes

Popular Name: (1,4-Dioxan-2-yl)methanol (1,4-Dioxan-2-yl)methanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 143669-41-4 , 29908-11-0 , 406913-88-0 , [143669-41-4] , [29908-11-0]

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) -0.69 -3.61 -6.15 1 3 0 38 118.132 1 ↓

Vendor Notes

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

Activity (Go SEA)

Clustered Target Annotations
Code Description Organism Class Affinity (nM) LE (kcal/mol/atom) Type
Z50636-2-O Sindbis Virus (cluster #2 Of 3), Other Other 3400 0.96 Functional ≤ 10μM
ChEMBL Target Annotations
Uniprot Swissprot Description Affinity (nM) LE (kcal/mol/atom) Type
Z50636 Z50636 Sindbis Virus 1000 1.05 Functional ≤ 10μM

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