UCSF

ZINC66059273

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 23 No

Popular Name: 3-[2-(2-methylphenoxy)ethyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[2-(2-methylphenoxy)ethyl]-1,1…

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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) 2.31 5.29 -14.6 1 6 0 76 332.381 4 ↓
Hi High (pH 8-9.5) 2.31 4.55 -46.89 0 6 -1 78 331.373 4 ↓

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

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