UCSF

ZINC08220462

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 4th, 2006 15 Yes

Popular Name: (1S,8aR)-1-Isopropyl-4,7-dimethyl-1,2,3,5,6,8a-hexahydronaphthalene (1S,8aR)-1-Isopropyl-4,7-dimethy…

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CAS Numbers: 483-76-1 , [483-76-1]

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) 5.81 2.72 -0.8 0 0 0 0 204.357 1 ↓

Vendor Notes

Note Type Comments Provided By
UniProt Database Links DCS1_GOSAR; DCS1_GOSHI; DCS2_GOSAR; DCS3_GOSAR; DCS4_GOSAR; GCSY1_CUCME; STS1_THAGA; TPS1_RICCO ChEBI
PUBCHEM_PATENT_ID EP0183436A2; EP0183436B1; EP0942957A1; EP0948362A1; US4670264; US4670463; US4671959; US5089469; US5196200; US5355718; US6008043; US6086904; WO1998017749A1; WO1998022152A1 IBM Patent Data

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