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Analogs

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Popular Name: 5,6-dichloro-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 5,6-dichloro-1,1-dioxo-3,4-dihyd…

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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) 0.55 -4.75 -16.96 4 7 0 118 332.19 1 ↓
Mid Mid (pH 6-8) 0.55 -5.18 -39.45 3 7 -1 120 331.182 1 ↓

Analogs

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Popular Name: (3R)-2,4-dimethyl-3-(1-methyl-4-piperidyl)-3H-benzo[e][1,2,4]thiadiazine (3R)-2,4-dimethyl-3-(1-methyl-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) 1.94 -5.85 -52.93 1 5 1 45 310.443 1 ↓

Analogs

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Popular Name: (3S)-2,4-dimethyl-3-(1-methyl-4-piperidyl)-3H-benzo[e][1,2,4]thiadiazine (3S)-2,4-dimethyl-3-(1-methyl-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) 1.94 -5.71 -52.14 1 5 1 45 310.443 1 ↓

Analogs

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Popular Name: 2-benzyl-3-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide 2-benzyl-3-{3-bromo-4-[(4-chloro…

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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) 6.74 -3.87 -19.27 1 6 0 67 599.934 7 ↓

Analogs

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Popular Name: 2-benzyl-3-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-methoxyphenyl}-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide 2-benzyl-3-{3-bromo-4-[(4-chloro…

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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) 6.74 -4 -21.81 1 6 0 67 599.934 7 ↓

Analogs

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Popular Name: (3R)-1,1-dioxo-N-(2-phenoxyethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-3-carboxamide (3R)-1,1-dioxo-N-(2-phenoxyethyl…

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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) 1.44 0.4 -19.05 3 7 0 97 347.396 5 ↓
Hi High (pH 8-9.5) 1.44 0.12 -45.12 2 7 -1 99 346.388 5 ↓

Analogs

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Popular Name: (3S)-1,1-dioxo-N-(2-phenoxyethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-3-carboxamide (3S)-1,1-dioxo-N-(2-phenoxyethyl…

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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) 1.44 0.4 -21.68 3 7 0 97 347.396 5 ↓
Hi High (pH 8-9.5) 1.44 0.12 -47.53 2 7 -1 99 346.388 5 ↓

Analogs

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Popular Name: (3R)-N-[2-(o-tolyl)ethyl]-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-3-carboxamide (3R)-N-[2-(o-tolyl)ethyl]-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) 1.96 2.03 -20.99 3 6 0 87 345.424 4 ↓
Hi High (pH 8-9.5) 1.96 1.74 -43.65 2 6 -1 89 344.416 4 ↓

Analogs

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Popular Name: (3S)-N-[2-(o-tolyl)ethyl]-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-3-carboxamide (3S)-N-[2-(o-tolyl)ethyl]-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) 1.96 2.03 -21.37 3 6 0 87 345.424 4 ↓
Hi High (pH 8-9.5) 1.96 1.74 -43.82 2 6 -1 89 344.416 4 ↓

Analogs

35481634
35481634
35481636
35481636
35481638
35481638
35481640
35481640

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Popular Name: 3-(4-methylphenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide 3-(4-methylphenyl)-3,4-dihydro-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) 2.69 3.69 -13.58 2 4 0 58 274.345 1 ↓
Hi High (pH 8-9.5) 2.69 3.02 -47.13 1 4 -1 60 273.337 1 ↓

Analogs

35481638
35481638
35481640
35481640

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Popular Name: 3-(4-methylphenyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine 1,1-dioxide 3-(4-methylphenyl)-3,4-dihydro-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) 2.69 3.68 -13.53 2 4 0 58 274.345 1 ↓
Hi High (pH 8-9.5) 2.69 3.02 -47.11 1 4 -1 60 273.337 1 ↓

Analogs

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Popular Name: 6-chloro-N-(hydroxymethyl)-1,1-dioxo-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide 6-chloro-N-(hydroxymethyl)-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) -0.33 -8.05 -19.79 4 8 0 125 327.771 3 ↓
Hi High (pH 8-9.5) -0.33 -8.5 -42.4 3 8 -1 127 326.763 3 ↓

Parameters Provided:

ring.id = 20508
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 = 20508 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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