UCSF

ZINC37623980

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2009 30 No

Popular Name: benzoic acid, 2-hydroxy-5-[[4-[[(6-methoxy-3-pyridazinyl)amino]sulfonyl]phenyl]azo]- benzoic acid, 2-hydroxy-5-[[4-[[…

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CAS Numbers: 22933-72-8 , [22933-72-8]

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) 3.79 0.57 -118.36 1 11 -2 168 427.398 7 ↓
Lo Low (pH 4.5-6) 3.79 0.98 -50.72 2 11 -1 166 428.406 7 ↓

Vendor Notes

Note Type Comments Provided By
Warnings IRRITANT Matrix Scientific

Activity (Go SEA)

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

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