UCSF

ZINC69949286

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 26 Yes

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

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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) 1.96 2.33 -24.45 2 7 0 85 372.45 3 ↓
Mid Mid (pH 6-8) 1.96 1.94 -41.16 1 7 -1 87 371.442 3 ↓

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Rings

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

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