UCSF

ZINC01699432

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 8th, 2004 9 Yes

Popular Name: 1,3,5-Trimethylcyclohexane 1,3,5-Trimethylcyclohexane

Find On: PubMed — Wikipedia — Google

CAS Numbers: 1795-26-2 , 1795-27-3 , 1839-63-0

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) 3.22 6.43 0.03 0 0 0 0 126.243 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 50 TCI
BP 140 TCI
PUBCHEM_PATENT_ID US5858212; WO1998000478A1 IBM Patent Data

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

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