UCSF

ZINC01405397

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 17th, 2004 11 Yes

Popular Name: trans-4-Ethylcyclohexanecarboxylic acid trans-4-Ethylcyclohexanecarboxyl…

Find On: PubMed — Wikipedia — Google

CAS Numbers: 619-64-7 , 6833-47-2 , 91328-77-7 , 943-29-3 , [91328-77-7]

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) 2.30 5.72 -47.26 0 2 -1 40 155.217 2 ↓

Vendor Notes

Note Type Comments Provided By
MP 176 TCI
MP 48 - 51 Enamine Building Blocks
Melting_Point 48-51? Alfa-Aesar
Melting_Point 48-51° Alfa-Aesar
MP 48...51 Enamine Building Blocks
melting_point 52 - 54 KeyOrganics
purity 9.500000000000000e+001 Enamine Building Blocks Enamine Building Blocks
Purity 95% Fluorochem

Activity (Go SEA)

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