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Analogs

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Popular Name: 3-methyl-4-phenyl-pyrido[2,3-e][1,2,4]thiadiazine 3-methyl-4-phenyl-pyrido[2,3-e][…

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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) 2.23 5.41 -16.3 0 5 0 63 273.317 1 ↓
Mid Mid (pH 6-8) 2.23 5.78 -44.53 1 5 1 64 274.325 1 ↓

Analogs

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Popular Name: 3-ethyl-4-phenyl-pyrido[2,3-e][1,2,4]thiadiazine 3-ethyl-4-phenyl-pyrido[2,3-e][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) 2.74 6.33 -16.11 0 5 0 63 287.344 2 ↓
Mid Mid (pH 6-8) 2.74 6.69 -44.55 1 5 1 64 288.352 2 ↓

Analogs

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Popular Name: 4-(m-tolyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(m-tolyl)pyrido[2,3-e][1,2,4]t…

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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) 2.21 6.15 -16.14 0 5 0 63 273.317 1 ↓
Mid Mid (pH 6-8) 2.21 6.47 -45.03 1 5 1 64 274.325 1 ↓

Analogs

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Popular Name: 3-methyl-4-(m-tolyl)pyrido[2,3-e][1,2,4]thiadiazine 3-methyl-4-(m-tolyl)pyrido[2,3-e…

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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) 2.66 6.04 -16.35 0 5 0 63 287.344 1 ↓

Analogs

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

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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) 2.24 6.16 -16.26 0 5 0 63 273.317 1 ↓

Analogs

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Popular Name: 4-(3,4-dimethylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(3,4-dimethylphenyl)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) 2.61 6.7 -16.04 0 5 0 63 287.344 1 ↓
Mid Mid (pH 6-8) 2.61 7.03 -44.83 1 5 1 64 288.352 1 ↓

Analogs

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Popular Name: 4-(3,5-dimethylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(3,5-dimethylphenyl)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) 2.61 6.8 -16.08 0 5 0 63 287.344 1 ↓
Mid Mid (pH 6-8) 2.61 7.14 -44.73 1 5 1 64 288.352 1 ↓

Analogs

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Popular Name: 4-(3-ethylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(3-ethylphenyl)pyrido[2,3-e][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) 2.68 6.91 -15.91 0 5 0 63 287.344 2 ↓
Mid Mid (pH 6-8) 2.68 7.24 -45.08 1 5 1 64 288.352 2 ↓

Analogs

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Popular Name: 4-(4-ethylphenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(4-ethylphenyl)pyrido[2,3-e][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) 2.70 6.92 -16.11 0 5 0 63 287.344 2 ↓
Mid Mid (pH 6-8) 2.70 7.25 -45.48 1 5 1 64 288.352 2 ↓

Analogs

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Popular Name: 4-(2-fluorophenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(2-fluorophenyl)pyrido[2,3-e][…

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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) 1.90 5.68 -17.1 0 5 0 63 277.28 1 ↓
Lo Low (pH 4.5-6) 1.90 6.05 -44.07 1 5 1 64 278.288 1 ↓

Analogs

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Popular Name: 4-(2-fluorophenyl)-3-methyl-pyrido[2,3-e][1,2,4]thiadiazine 4-(2-fluorophenyl)-3-methyl-pyri…

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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) 2.35 5.49 -20.07 0 5 0 63 291.307 1 ↓
Mid Mid (pH 6-8) 2.35 5.86 -48.35 1 5 1 64 292.315 1 ↓

Analogs

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Popular Name: 4-(3-fluorophenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(3-fluorophenyl)pyrido[2,3-e][…

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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) 1.93 5.55 -16.12 0 5 0 63 277.28 1 ↓
Lo Low (pH 4.5-6) 1.93 5.87 -47.7 1 5 1 64 278.288 1 ↓

Analogs

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Popular Name: 4-(3-fluorophenyl)-3-methyl-pyrido[2,3-e][1,2,4]thiadiazine 4-(3-fluorophenyl)-3-methyl-pyri…

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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) 2.37 5.48 -16.1 0 5 0 63 291.307 1 ↓
Lo Low (pH 4.5-6) 2.37 5.85 -45.14 1 5 1 64 292.315 1 ↓

Analogs

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Popular Name: 4-(4-fluorophenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(4-fluorophenyl)pyrido[2,3-e][…

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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) 1.95 5.54 -16.73 0 5 0 63 277.28 1 ↓
Lo Low (pH 4.5-6) 1.95 5.88 -48.94 1 5 1 64 278.288 1 ↓

Analogs

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Popular Name: 4-(4-fluorophenyl)-3-methyl-pyrido[2,3-e][1,2,4]thiadiazine 4-(4-fluorophenyl)-3-methyl-pyri…

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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) 2.40 5.48 -15.9 0 5 0 63 291.307 1 ↓
Lo Low (pH 4.5-6) 2.40 5.85 -47.36 1 5 1 64 292.315 1 ↓

Analogs

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Popular Name: 4-(3,4-difluorophenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(3,4-difluorophenyl)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) 2.04 5.6 -16.81 0 5 0 63 295.27 1 ↓
Lo Low (pH 4.5-6) 2.04 5.94 -51.52 1 5 1 64 296.278 1 ↓

Analogs

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Popular Name: 4-(3,5-difluorophenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(3,5-difluorophenyl)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) 2.04 5.61 -16.14 0 5 0 63 295.27 1 ↓
Lo Low (pH 4.5-6) 2.04 5.94 -49.16 1 5 1 64 296.278 1 ↓

Analogs

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Popular Name: 4-(3-chlorophenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(3-chlorophenyl)pyrido[2,3-e][…

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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 5.99 -15.71 0 5 0 63 293.735 1 ↓

Analogs

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Popular Name: 4-(4-chlorophenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(4-chlorophenyl)pyrido[2,3-e][…

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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 6 -16.22 0 5 0 63 293.735 1 ↓
Lo Low (pH 4.5-6) 2.46 6.33 -48.32 1 5 1 64 294.743 1 ↓

Analogs

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Popular Name: 4-(3-fluoro-4-methyl-phenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(3-fluoro-4-methyl-phenyl)pyri…

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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) 2.33 6.19 -15.88 0 5 0 63 291.307 1 ↓
Lo Low (pH 4.5-6) 2.33 6.52 -47.5 1 5 1 64 292.315 1 ↓

Analogs

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Popular Name: 4-(4-fluoro-3-methyl-phenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(4-fluoro-3-methyl-phenyl)pyri…

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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) 2.33 6.18 -16.61 0 5 0 63 291.307 1 ↓
Lo Low (pH 4.5-6) 2.33 6.51 -48.59 1 5 1 64 292.315 1 ↓

Analogs

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Popular Name: 4-(2-fluoro-4-methyl-phenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(2-fluoro-4-methyl-phenyl)pyri…

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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) 2.33 6.35 -16.44 0 5 0 63 291.307 1 ↓
Mid Mid (pH 6-8) 2.33 6.74 -43.42 1 5 1 64 292.315 1 ↓

Analogs

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Popular Name: 4-(2-fluoro-5-methyl-phenyl)pyrido[2,3-e][1,2,4]thiadiazine 4-(2-fluoro-5-methyl-phenyl)pyri…

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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) 2.33 6.35 -16.61 0 5 0 63 291.307 1 ↓
Mid Mid (pH 6-8) 2.33 6.73 -43.42 1 5 1 64 292.315 1 ↓

Analogs

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Popular Name: 4-(3-fluoro-4-methylphenyl)-2H-pyrido[2,3-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide 4-(3-fluoro-4-methylphenyl)-2H-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) 1.75 2.15 -50.16 0 6 -1 86 306.298 1 ↓
Mid Mid (pH 6-8) 1.75 2.53 -49.05 1 6 0 87 307.306 1 ↓

Analogs

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Popular Name: 4-(4-fluoro-3-methylphenyl)-2H-pyrido[2,3-e][1,2,4]thiadiazin-3(4H)-one 1,1-dioxide 4-(4-fluoro-3-methylphenyl)-2H-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) 1.75 2.15 -47.55 0 6 -1 86 306.298 1 ↓
Mid Mid (pH 6-8) 1.75 2.53 -47.25 1 6 0 87 307.306 1 ↓

Analogs

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Popular Name: methyl methyl

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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) 2.91 6.98 -17.74 0 7 0 89 345.38 4 ↓
Mid Mid (pH 6-8) 2.91 7.33 -50.39 1 7 1 90 346.388 4 ↓

Parameters Provided:

ring.id = 368334
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 = 368334 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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