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Analogs

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Popular Name: N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl N-(5-methyl-1,3,4-thiadiazol-2-y…

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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) 1.58 7.11 -25.9 2 9 0 118 399.461 5 ↓
Hi High (pH 8-9.5) 2.22 5.33 -102.88 0 9 -2 127 397.445 5 ↓

Analogs

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Popular Name: N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl] N-(5-ethyl-1,3,4-thiadiazol-2-yl…

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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) 2.15 7.87 -25.46 2 9 0 118 413.488 6 ↓
Hi High (pH 8-9.5) 2.79 6.09 -102.96 0 9 -2 127 411.472 6 ↓

Analogs

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Popular Name: 2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl 2-[(7-oxo-2-phenyl-6H-pyrazolo[5…

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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) 2.65 8.63 -25.11 2 9 0 118 427.515 7 ↓
Hi High (pH 8-9.5) 3.30 6.85 -102.66 0 9 -2 127 425.499 7 ↓

Analogs

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Popular Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-[(7-oxo-2-phenyl-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl)sulfan N-(5-isobutyl-1,3,4-thiadiazol-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) 2.90 9.12 -25.03 2 9 0 118 441.542 7 ↓
Hi High (pH 8-9.5) 3.54 7.46 -103.31 0 9 -2 127 439.526 7 ↓

Analogs

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Popular Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-[[2-(o-tolyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sul N-(5-isobutyl-1,3,4-thiadiazol-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) 3.76 7.78 -23.14 2 9 0 118 455.569 7 ↓
Ref Reference (pH 7) 3.30 10.31 -24.44 2 9 0 118 455.569 7 ↓
Hi High (pH 8-9.5) 3.94 7.83 -104.12 0 9 -2 127 453.553 7 ↓

Analogs

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Popular Name: 2-[[2-(2-chlorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(5-methyl-1,3,4-thiad 2-[[2-(2-chlorophenyl)-7-oxo-6H-…

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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 8.06 -28.27 2 9 0 118 433.906 5 ↓
Hi High (pH 8-9.5) 2.85 6.03 -104.79 0 9 -2 127 431.89 5 ↓

Analogs

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Popular Name: 2-[[2-(4-chlorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(5-methyl-1,3,4-thiad 2-[[2-(4-chlorophenyl)-7-oxo-6H-…

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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) 2.26 7.63 -25.42 2 9 0 118 433.906 5 ↓
Hi High (pH 8-9.5) 2.90 5.84 -98.24 0 9 -2 127 431.89 5 ↓

Analogs

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Popular Name: 2-[[2-(2-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(5-methyl-1,3,4-thiad 2-[[2-(2-fluorophenyl)-7-oxo-6H-…

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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) 1.70 7.37 -29.78 2 9 0 118 417.451 5 ↓
Hi High (pH 8-9.5) 2.34 5.58 -106.32 0 9 -2 127 415.435 5 ↓

Analogs

20986982
20986982

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Popular Name: 2-[[2-(2-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(5-propyl-1,3,4-thiad 2-[[2-(2-fluorophenyl)-7-oxo-6H-…

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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) 2.77 8.9 -28.97 2 9 0 118 445.505 7 ↓
Hi High (pH 8-9.5) 3.41 7.1 -106.18 0 9 -2 127 443.489 7 ↓

Analogs

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Popular Name: 2-[[2-(2-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(5-methyl-1,3,4-thia 2-[[2-(2-methoxyphenyl)-7-oxo-6H…

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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) 1.59 6.9 -28.43 2 10 0 127 429.487 6 ↓
Hi High (pH 8-9.5) 2.23 5.14 -106.41 0 10 -2 137 427.471 6 ↓

Analogs

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Popular Name: 2-[[2-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(5-propyl-1,3,4-thia 2-[[2-(4-methoxyphenyl)-7-oxo-6H…

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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) 2.71 7.95 -26.41 2 10 0 127 457.541 8 ↓
Hi High (pH 8-9.5) 3.35 6.18 -102.05 0 10 -2 137 455.525 8 ↓

Analogs

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Popular Name: N-(5-isobutyl-1,3,4-thiadiazol-2-yl)-2-[[2-(4-methoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin- N-(5-isobutyl-1,3,4-thiadiazol-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) 2.95 8.52 -26.27 2 10 0 127 471.568 8 ↓
Hi High (pH 8-9.5) 3.60 6.67 -102.92 0 10 -2 137 469.552 8 ↓

Analogs

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Popular Name: 2-[[2-(3-chlorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(5-ethyl-1,3,4-thiadi 2-[[2-(3-chlorophenyl)-7-oxo-6H-…

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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) 2.81 8.37 -23.41 2 9 0 118 447.933 6 ↓
Hi High (pH 8-9.5) 3.45 6.59 -100.98 0 9 -2 127 445.917 6 ↓

Analogs

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Popular Name: 2-[[2-(4-ethoxyphenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-(5-methyl-1,3,4-thiad 2-[[2-(4-ethoxyphenyl)-7-oxo-6H-…

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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) 2.01 7.35 -26.99 2 10 0 127 443.514 7 ↓
Hi High (pH 8-9.5) 2.65 5.59 -101.93 0 10 -2 137 441.498 7 ↓

Parameters Provided:

ring.id = 90092
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 = 90092 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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