UCSF

ZINC06043291

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 2nd, 2006 15 Yes

Popular Name: 2-[(propylamino)carbonyl]cyclohexanecarboxylic acid 2-[(propylamino)carbonyl]cyclohe…

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CAS Numbers: 545352-96-3 , [545352-96-3]

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) 1.70 4.74 -60.34 1 4 -1 69 212.269 4 ↓

Vendor Notes

Note Type Comments Provided By
Purity 95% Fluorochem
Warnings IRRITANT Matrix Scientific

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