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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-[1,1-dioxo-6-(trifluoromethyl)-2H-benzo[e][1,2,4]thiadiazin-3-yl]-N-[2-(4-ethoxyphenyl)ethyl]propa 3-[1,1-dioxo-6-(trifluoromethyl)…

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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) 3.57 6.73 -20.52 2 7 0 97 469.485 9 ↓
Mid Mid (pH 6-8) 2.92 6.44 -42.44 1 7 -1 99 468.477 9 ↓
Mid Mid (pH 6-8) 3.57 6.33 -37.31 1 7 -1 99 468.477 9 ↓

Analogs

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Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-2H-benzo[e][1,2,4]thiadiazin-3-yl] N-[2-(3,4-dimethoxyphenyl)ethyl]…

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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) 2.79 5.7 -23.43 2 8 0 106 485.484 9 ↓
Mid Mid (pH 6-8) 2.13 5.45 -45.05 1 8 -1 108 484.476 9 ↓
Mid Mid (pH 6-8) 2.79 5.3 -39.81 1 8 -1 108 484.476 9 ↓

Analogs

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Popular Name: 3-[1,1-dioxo-6-(trifluoromethyl)-2H-benzo[e][1,2,4]thiadiazin-3-yl]-N-[(2R)-2-phenylpropyl]propanami 3-[1,1-dioxo-6-(trifluoromethyl)…

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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) 3.94 7.09 -18.57 2 6 0 88 439.459 7 ↓
Mid Mid (pH 6-8) 3.94 6.69 -35.61 1 6 -1 90 438.451 7 ↓

Analogs

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Popular Name: N-[2-(4-chlorophenyl)ethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-2H-benzo[e][1,2,4]thiadiazin-3-yl]propa N-[2-(4-chlorophenyl)ethyl]-3-[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) 3.82 7.02 -19.58 2 6 0 88 459.877 7 ↓
Mid Mid (pH 6-8) 3.82 6.62 -35.94 1 6 -1 90 458.869 7 ↓

Analogs

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Popular Name: N-[2-(2,5-dimethoxyphenyl)ethyl]-3-[1,1-dioxo-6-(trifluoromethyl)-2H-benzo[e][1,2,4]thiadiazin-3-yl] N-[2-(2,5-dimethoxyphenyl)ethyl]…

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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) 3.18 5.13 -21.12 2 8 0 106 485.484 9 ↓
Mid Mid (pH 6-8) 2.53 4.9 -43.81 1 8 -1 108 484.476 9 ↓
Mid Mid (pH 6-8) 3.18 4.73 -38.88 1 8 -1 108 484.476 9 ↓

Parameters Provided:

ring.id = 86589
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 = 86589 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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