UCSF

ZINC22017943

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 11 Yes

Popular Name: (1S,2R)-2-isobutylcyclohexan-1-ol (1S,2R)-2-isobutylcyclohexan-1-ol

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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) 3.10 4.06 -3.03 1 1 0 20 156.269 2 ↓

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US5006622; US5013545; US5236969; US5270418; US5536263; US6096334 IBM Patent Data

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

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