UCSF

ZINC60499461

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 21 No

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

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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) 2.42 4.5 -13.19 1 5 0 66 367.224 2 ↓
Hi High (pH 8-9.5) 2.42 4.77 -41.33 0 5 -1 69 366.216 2 ↓

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

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