UCSF

ZINC01081440

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2005 18 Yes

Popular Name: (1S,2R)-2-Benzamidocyclohexanecarboxylic acid (1S,2R)-2-Benzamidocyclohexaneca…

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CAS Numbers: 26685-82-5 , 26693-55-0 , [26685-82-5]

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) 2.15 0.17 -52.78 1 4 -1 69 246.286 3 ↓

Vendor Notes

Note Type Comments Provided By
Melting_Point 205-206? Alfa-Aesar
Melting_Point 205-206° Alfa-Aesar
MP 206 TCI
Purity 95% Fluorochem

Activity (Go SEA)

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

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