UCSF

ZINC02729459

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2004 21 Yes

Popular Name: 2-{[(3-acetylphenyl)amino]carbonyl}cyclohexanecarboxylic acid 2-{[(3-acetylphenyl)amino]carbon…

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CAS Numbers: , 331987-27-0

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) 2.39 0.35 -81.27 1 5 -1 86 288.323 4 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

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