UCSF

ZINC02000305

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 2004 11 Yes

Popular Name: 2-Isopropyl-5-methylcyclohexanol 2-Isopropyl-5-methylcyclohexanol

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CAS Numbers: 1490-04-6 , 15356-60-2 , 15356-70-4 , 2216-52-6 , 89-78-1 , 89-83-8 , [1490-04-6] , [89-78-1]

Download: MOL2 SDF SMILES Flexibase

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Vendors

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) 3.34 3.62 -1.99 1 1 0 20 156.269 1 ↓

Vendor Notes

Note Type Comments Provided By
Boiling_Point 212-216? Alfa-Aesar
Boiling_Point 212-216° Alfa-Aesar
Melting_Point 33-36? Alfa-Aesar
Melting_Point 33-36° Alfa-Aesar
MP 34-36 °C(lit.) Indofine
Purity 95% Fluorochem
Target Glutathione S-transferase P(P09211)&72 kDa type IV collagenase(P08253) Herbal Ingredients Targets
PUBCHEM_PATENT_ID US4237072 IBM Patent Data
PUBCHEM_PATENT_ID US4265817; US4374257; US4540797; US4658043; US4720556 IBM Patent Data

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

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