UCSF

ZINC61389319

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 41 No

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) 5.60 16.97 -112.98 0 7 -2 124 568.751 6
Lo Low (pH 4.5-6) 5.60 15 -59.03 1 7 -1 121 569.759 6

Vendor Notes

Note Type Comments Provided By
Therapy antiinflammatory, antisecretory, antiulcer SMDC MicroSource

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

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