UCSF

ZINC04521773

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Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 11 Yes

Popular Name: PERILLYL ALCOHOL PERILLYL ALCOHOL

Find On: PubMed — Wikipedia — Google

CAS Numbers: 536-59-4 , 536-59-4, 18457-55-1 , 57717-97-2

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) 2.37 3.95 -3.02 1 1 0 20 152.237 2 ↓

Vendor Notes

Note Type Comments Provided By
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
therap antineoplastic, apoptosis inducer; skin irritant, LD50(rat) 2100 mg/kg po MicroSource Spectrum
UniProt Database Links CP2C9_HUMAN; CP2CJ_HUMAN; DBR_TOBAC; GEOA_CASDE; LIHY_GEOSE; RDH16_HUMAN ChEBI
Patent Database Links US2007219131; US2008226710; US2008292585 ChEBI
PUBCHEM_PATENT_ID WO1999000347A1 IBM Patent Data

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