UCSF

ZINC02045405

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2004 9 Yes

Popular Name: 1-Cyclohexylethanol 1-Cyclohexylethanol

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1193-81-3 , 3113-99-3 , 98-85-1 , [1193-81-3]

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) 2.33 2.88 -2.85 1 1 0 20 128.215 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 188-190? Alfa-Aesar
Boiling_Point 188-190° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0268897A1; EP0589446A1; EP0589446B1; US5523315; US5554634; US5565476 IBM Patent Data

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.