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Search Results | ZINC Is Not Commercial - A database of commercially-available compounds
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Analogs

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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 ↓

Analogs

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Popular Name: 3-[(4-bromophenyl)methyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[(4-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) 2.44 4.5 -12.16 1 5 0 66 367.224 2 ↓

Analogs

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Popular Name: 5-fluoro-2-[(1,1,4-trioxo-2H-benzo[e]thiadiazin-3-yl)methyl]benzonitrile 5-fluoro-2-[(1,1,4-trioxo-2H-ben…

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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) 1.48 4.21 -11.9 1 6 0 90 331.328 2 ↓
Hi High (pH 8-9.5) 1.48 4.38 -44.3 0 6 -1 92 330.32 2 ↓

Analogs

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Popular Name: 3-[(2,4-dichlorophenyl)methyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[(2,4-dichlorophenyl)methyl]-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) 2.92 4.82 -10.77 1 5 0 66 357.218 2 ↓
Hi High (pH 8-9.5) 2.92 5.1 -39.73 0 5 -1 69 356.21 2 ↓

Analogs

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

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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) 1.38 4.27 -14.94 1 6 0 90 313.338 2 ↓
Hi High (pH 8-9.5) 1.38 4.54 -38.96 0 6 -1 92 312.33 2 ↓

Analogs

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Popular Name: 3-[(4-nitrophenyl)methyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[(4-nitrophenyl)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) 1.59 4.59 -16.18 1 8 0 112 333.325 3 ↓
Hi High (pH 8-9.5) 1.59 4.87 -38.25 0 8 -1 114 332.317 3 ↓

Analogs

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

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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) 2.29 4.39 -13.28 1 5 0 66 322.773 2 ↓
Hi High (pH 8-9.5) 2.29 4.66 -41.48 0 5 -1 69 321.765 2 ↓

Analogs

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Popular Name: 3-[(2-chloro-6-fluoro-phenyl)methyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[(2-chloro-6-fluoro-phenyl)met…

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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) 2.38 4.35 -12.49 1 5 0 66 340.763 2 ↓
Hi High (pH 8-9.5) 2.38 4.6 -44.55 0 5 -1 69 339.755 2 ↓

Analogs

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Popular Name: 3-[(2,6-dichlorophenyl)methyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[(2,6-dichlorophenyl)methyl]-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) 2.89 4.74 -11.09 1 5 0 66 357.218 2 ↓
Hi High (pH 8-9.5) 2.89 4.99 -42.55 0 5 -1 69 356.21 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3-nitrophenyl)methyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[(3-nitrophenyl)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) 1.56 4.59 -19.49 1 8 0 112 333.325 3 ↓
Hi High (pH 8-9.5) 1.56 4.87 -43.96 0 8 -1 114 332.317 3 ↓

Analogs

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

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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) 1.34 4.15 -12.8 1 6 0 90 313.338 2 ↓
Hi High (pH 8-9.5) 1.34 4.32 -48.43 0 6 -1 92 312.33 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2-nitrophenyl)methyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[(2-nitrophenyl)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) 1.54 4.81 -15.61 1 8 0 112 333.325 3 ↓
Hi High (pH 8-9.5) 1.54 4.73 -50.37 0 8 -1 114 332.317 3 ↓

Analogs

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Popular Name: 3-[(4-bromo-2-fluoro-phenyl)methyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[(4-bromo-2-fluoro-phenyl)meth…

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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) 2.53 4.56 -11.76 1 5 0 66 385.214 2 ↓
Hi High (pH 8-9.5) 2.53 4.82 -42.32 0 5 -1 69 384.206 2 ↓

Analogs

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Popular Name: 3-[(2,5-dimethylphenyl)methyl]-1,1-dioxo-2H-benzo[e]thiadiazin-4-one 3-[(2,5-dimethylphenyl)methyl]-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) 2.46 5.6 -12.41 1 5 0 66 316.382 2 ↓
Hi High (pH 8-9.5) 2.46 5.39 -42.6 0 5 -1 69 315.374 2 ↓

Analogs

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

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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) 2.03 4.45 -11.76 1 5 0 66 302.355 2 ↓
Hi High (pH 8-9.5) 2.03 4.73 -41.4 0 5 -1 69 301.347 2 ↓

Parameters Provided:

ring.id = 201403
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 201403 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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