UCSF

ZINC13943958

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 30th, 2008 26 Yes

Popular Name: 2-({3-[(2-ethylbutanoyl)amino]benzoyl}amino)benzoic acid 2-({3-[(2-ethylbutanoyl)amino]be…

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CAS Numbers: , 890982-85-1

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) 4.15 7.9 -52.86 2 6 -1 98 353.398 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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