UCSF

ZINC69809478

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 22 Yes

Popular Name: 4-[(1,1-dioxo-2H-benzo[e][1,2,4]thiadiazin-3-yl)methylsulfanyl]benzonitrile 4-[(1,1-dioxo-2H-benzo[e][1,2,4]…

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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) 2.63 6.43 -27.3 1 5 0 82 329.406 3 ↓
Mid Mid (pH 6-8) 2.63 6.02 -39.39 0 5 -1 84 328.398 3 ↓

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Rings

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

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