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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-(3-phenylpropyl)acetamide 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) 3.77 10.59 -17.31 2 7 0 92 419.51 8 ↓

Analogs

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

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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) 4.10 11.59 -17.69 2 7 0 92 433.537 8 ↓

Analogs

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

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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) 4.10 11.59 -17.69 2 7 0 92 433.537 8 ↓

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-(3-phenylpropyl)aceta 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) 3.89 10.85 -20.92 2 7 0 92 437.5 8 ↓

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-[(1S)-1-methyl-3-phen 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) 4.22 11.85 -21.49 2 7 0 92 451.527 8 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(2-fluorophenyl)-7-oxo-6H-pyrazolo[5,1-f][1,3,5]triazin-4-yl]sulfanyl]-N-[(1R)-1-methyl-3-phen 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) 4.22 11.85 -21.5 2 7 0 92 451.527 8 ↓

Parameters Provided:

ring.id = 90247
filter.purchasability = annotated
page.format = targets
page.num = 1
iocnl3 = legacy
iosrcn = bgt
iid = 191540506
iosrct = trackref

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 = 90247 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=90247&filter.purchasability=annotated

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