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Analogs

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Popular Name: 3-methyl-N-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide 3-methyl-N-phenyl[1,2,4]triazolo…

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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) 1.57 5.42 -14.5 1 6 0 76 288.332 3 ↓
Mid Mid (pH 6-8) 1.57 5.55 -39.73 0 6 -1 78 287.324 3 ↓

Analogs

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Popular Name: 3-ethyl-N-phenyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide 3-ethyl-N-phenyl[1,2,4]triazolo[…

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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) 2.14 6.03 -14.05 1 6 0 76 302.359 4 ↓
Mid Mid (pH 6-8) 2.14 6.17 -39.35 0 6 -1 78 301.351 4 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methylphenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(3-fluoro-4-methylphenyl)-3-me…

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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) 2.11 6.26 -40.18 0 6 -1 78 319.341 3 ↓
Mid Mid (pH 6-8) 2.11 6.23 -16.24 1 6 0 76 320.349 3 ↓

Analogs

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Popular Name: N-(3-fluoro-4-methylphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(3-fluoro-4-methylphenyl)[1,2,…

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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) 2.02 6.43 -40.01 0 6 -1 78 305.314 3 ↓
Mid Mid (pH 6-8) 2.02 6.41 -16.16 1 6 0 76 306.322 3 ↓

Analogs

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Popular Name: 3-ethyl-N-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide 3-ethyl-N-(4-methoxyphenyl)[1,2,…

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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) 2.20 5.32 -15.03 1 7 0 86 332.385 5 ↓
Mid Mid (pH 6-8) 2.20 5.46 -39.49 0 7 -1 88 331.377 5 ↓

Analogs

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Popular Name: N-(4-ethoxyphenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(4-ethoxyphenyl)-3-methyl[1,2,…

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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) 2.00 5.76 -39.82 0 7 -1 88 331.377 5 ↓
Mid Mid (pH 6-8) 2.00 5.74 -15.95 1 7 0 86 332.385 5 ↓

Analogs

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Popular Name: N-(3-fluorophenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(3-fluorophenyl)-3-methyl[1,2,…

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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) 1.71 5.62 -36.18 0 6 -1 78 305.314 3 ↓
Lo Low (pH 4.5-6) 1.71 5.48 -15.95 1 6 0 76 306.322 3 ↓

Analogs

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Popular Name: N-butyl-3-ethyl-N-phenyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-butyl-3-ethyl-N-phenyl-[1,2,4]…

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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) 3.83 9.58 -13.07 0 6 0 68 358.467 7 ↓

Analogs

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Popular Name: N-(4-fluorophenyl)-3-methyl-N-propyl-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(4-fluorophenyl)-3-methyl-N-pr…

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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) 2.86 8.25 -14.21 0 6 0 68 348.403 5 ↓

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) 3.29 10.63 -13.75 0 8 0 94 416.503 7 ↓

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) 2.04 8.92 -21.01 0 8 0 94 360.395 6 ↓

Analogs

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Popular Name: ethyl 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) 2.42 9.42 -16.46 0 8 0 94 374.422 7 ↓

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) 3.31 10.81 -19.41 0 8 0 94 416.503 7 ↓

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) 2.50 9.7 -20.8 0 8 0 94 374.422 7 ↓

Analogs

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Popular Name: N-(4-ethylphenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(4-ethylphenyl)-3-methyl[1,2,4…

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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) 2.49 6.98 -40.19 0 6 -1 78 315.378 4 ↓
Mid Mid (pH 6-8) 2.49 6.97 -14.58 1 6 0 76 316.386 4 ↓

Analogs

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Popular Name: N-(3-methoxyphenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(3-methoxyphenyl)-[1,2,4]triaz…

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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) 1.52 5.01 -40.74 0 7 -1 88 303.323 4 ↓
Mid Mid (pH 6-8) 1.52 4.84 -15.22 1 7 0 86 304.331 4 ↓

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) 1.62 7.41 -16.87 0 9 0 103 376.394 7 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(4-methoxyphenyl)[1,2,4]triazo…

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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 5.01 -39.66 0 7 -1 88 303.323 4 ↓
Mid Mid (pH 6-8) 1.54 4.99 -16.04 1 7 0 86 304.331 4 ↓

Analogs

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Popular Name: N-(4-methoxyphenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(4-methoxyphenyl)-3-methyl[1,2…

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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) 1.63 4.71 -15.47 1 7 0 86 318.358 4 ↓
Mid Mid (pH 6-8) 1.63 4.84 -39.8 0 7 -1 88 317.35 4 ↓

Analogs

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Popular Name: N-(cyanomethyl)-N-(4-fluorophenyl)-[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(cyanomethyl)-N-(4-fluoropheny…

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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) 1.68 7.9 -24.12 0 7 0 91 331.332 4 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(3-chlorophenyl)[1,2,4]triazol…

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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) 2.14 6.24 -38.1 0 6 -1 78 307.742 3 ↓
Lo Low (pH 4.5-6) 2.14 6.21 -15.49 1 6 0 76 308.75 3 ↓

Analogs

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Popular Name: N-(3-chlorophenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(3-chlorophenyl)-3-methyl[1,2,…

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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) 2.23 6.07 -36.24 0 6 -1 78 321.769 3 ↓
Lo Low (pH 4.5-6) 2.23 5.94 -15.26 1 6 0 76 322.777 3 ↓

Analogs

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Popular Name: N-(4-chlorophenyl)-3-methyl[1,2,4]triazolo[4,3-a]pyridine-6-sulfonamide N-(4-chlorophenyl)-3-methyl[1,2,…

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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) 2.25 6.07 -35.58 0 6 -1 78 321.769 3 ↓
Mid Mid (pH 6-8) 2.25 5.94 -14.96 1 6 0 76 322.777 3 ↓

Parameters Provided:

ring.id = 502953
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 502953 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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