UCSF

ZINC00403380

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 9 Yes

Popular Name: (1S,2S)-2-Methoxycyclohexanol (1S,2S)-2-Methoxycyclohexanol

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CAS Numbers: 134108-92-2 , 2979-24-0 , [134108-92-2]

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) 1.05 0.98 -4.05 1 2 0 29 130.187 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 195? Alfa-Aesar
Boiling_Point 195° Alfa-Aesar
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
PUBCHEM_PATENT_ID EP0752984B1; EP0847989A1; US5750382; US5777103; US5817806 IBM Patent Data

Activity (Go SEA)

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