UCSF

ZINC01672943

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2004 10 Yes

Popular Name: 3,3,5-Trimethylcyclohexanol 3,3,5-Trimethylcyclohexanol

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CAS Numbers: 116-02-9 , 767-54-4 , 933-48-2 , [116-02-9]

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) 2.25 3.58 -1.54 1 1 0 20 142.242 0 ↓

Vendor Notes

Note Type Comments Provided By
MP 34 TCI
MP 56 - 58 Enamine Building Blocks
MP 56...58 Enamine Building Blocks
MP 58 TCI
BP 76 / 10 TCI
BP 86 / 10 TCI
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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