UCSF

ZINC05158343

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 23rd, 2006 12 Yes

Popular Name: 1-Methyl-4-(prop-1-en-2-yl)cyclohexane-1,2-diol 1-Methyl-4-(prop-1-en-2-yl)cyclo…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1946-00-5 , 57457-97-3 , [57457-97-3]

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) 1.70 -2.6 -4.52 2 2 0 40 170.252 1 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0107140A2; US4686183 IBM Patent Data
UniProt Database Links LIMA_RHOER; LIMC_RHOER ChEBI

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

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