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Analogs

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Popular Name: 1-(4-methylphenyl)-1H-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxylic acid 4,4-dioxide 1-(4-methylphenyl)-1H-pyrido[2,3…

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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) 1.55 5.38 -68.33 0 7 -1 103 316.318 2 ↓
Lo Low (pH 4.5-6) 1.55 5.55 -77.69 1 7 0 104 317.326 2 ↓

Analogs

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Popular Name: 4-methylbenzyl 1-(4-methylphenyl)-1H-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxylate 4-methylbenzyl 1-(4-methylphenyl…

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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) 4.21 9.82 -15.84 0 7 0 89 421.478 5 ↓
Lo Low (pH 4.5-6) 4.21 10.12 -45.2 1 7 1 90 422.486 5 ↓

Analogs

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Popular Name: N-(4-ethylphenyl)-1-(4-methylphenyl)-1H-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide 4,4-dioxide N-(4-ethylphenyl)-1-(4-methylphe…

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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) 4.03 7.97 -17.45 1 7 0 92 420.494 4 ↓
Mid Mid (pH 6-8) 4.21 6.23 -63.74 0 7 -1 98 419.486 4 ↓
Lo Low (pH 4.5-6) 4.03 8.28 -47.04 2 7 1 93 421.502 4 ↓

Analogs

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Popular Name: N-(4-ethylbenzyl)-1-(4-methylphenyl)-1H-pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide 4,4-dioxide N-(4-ethylbenzyl)-1-(4-methylphe…

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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) 3.73 8.09 -16.18 1 7 0 92 434.521 5 ↓
Hi High (pH 8-9.5) 3.91 5.86 -65.02 0 7 -1 98 433.513 5 ↓
Lo Low (pH 4.5-6) 3.73 8.4 -45.22 2 7 1 93 435.529 5 ↓

Analogs

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Popular Name: 3-(1,4-dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-1-(4-methylphenyl)-1H-pyrido[2,3-e][1,3,4]thiadiazine 4,4-dioxide 3-(1,4-dioxa-8-azaspiro[4.5]dec-…

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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 5.69 -17.96 0 9 0 101 442.497 2 ↓
Lo Low (pH 4.5-6) 1.94 6.01 -47.68 1 9 1 103 443.505 2 ↓

Analogs

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Popular Name: 4,4-dioxo-1-(p-tolyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide 4,4-dioxo-1-(p-tolyl)pyrido[2,3-…

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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) 1.04 1.31 -16.91 2 7 0 106 316.342 2 ↓
Hi High (pH 8-9.5) 1.35 -0.19 -60.04 1 7 -1 110 315.334 2 ↓
Lo Low (pH 4.5-6) 1.04 1.61 -46.24 3 7 1 107 317.35 2 ↓

Analogs

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Popular Name: N-(cyclopropylmethyl)-4,4-dioxo-1-(p-tolyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide N-(cyclopropylmethyl)-4,4-dioxo-…

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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) 2.28 5.2 -16.31 1 7 0 92 370.434 4 ↓
Lo Low (pH 4.5-6) 2.28 5.5 -45.46 2 7 1 93 371.442 4 ↓

Analogs

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Popular Name: N-(m-tolylmethyl)-4,4-dioxo-1-(p-tolyl)pyrido[2,3-e][1,3,4]thiadiazine-3-carboxamide N-(m-tolylmethyl)-4,4-dioxo-1-(p…

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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) 3.24 7.33 -16.47 1 7 0 92 420.494 4 ↓
Hi High (pH 8-9.5) 3.42 5.09 -65.3 0 7 -1 98 419.486 4 ↓
Lo Low (pH 4.5-6) 3.24 7.63 -45.33 2 7 1 93 421.502 4 ↓

Analogs

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Popular Name: tert-butyl tert-butyl

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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) 3.58 7.05 -13.87 0 7 0 89 393.852 4 ↓
Lo Low (pH 4.5-6) 3.58 7.35 -45.95 1 7 1 90 394.86 4 ↓

Parameters Provided:

ring.id = 503115
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 = 503115 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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