UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: (6aR)-4,5-bis[(Z)-2-oxo-4-phenyl-but-3-enyl]-2-phenyl-1,6a-dihydropyrrolo[3,2-d]pyrazol-3-one (6aR)-4,5-bis[(Z)-2-oxo-4-phenyl…

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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) 4.73 14.42 -21.5 1 6 0 79 487.559 9 ↓

Analogs

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Popular Name: (6aR)-4,5-bis[(Z)-2-oxo-4-phenyl-but-3-enyl]-2-phenyl-1,6a-dihydropyrrolo[3,2-d]pyrazol-3-one (6aR)-4,5-bis[(Z)-2-oxo-4-phenyl…

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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) 4.73 14.4 -20.88 1 6 0 79 487.559 9 ↓

Analogs

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Popular Name: (6aR)-4,5-bis[(E)-2-oxo-4-phenyl-but-3-enyl]-2-phenyl-1,6a-dihydropyrrolo[3,2-d]pyrazol-3-one (6aR)-4,5-bis[(E)-2-oxo-4-phenyl…

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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) 4.73 14.52 -21.85 1 6 0 79 487.559 9 ↓

Analogs

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Popular Name: (6aR)-4,5-diphenacyl-2-phenyl-1,6a-dihydropyrrolo[3,2-d]pyrazol-3-one (6aR)-4,5-diphenacyl-2-phenyl-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) 3.99 11.7 -21.78 1 6 0 79 435.483 7 ↓

Analogs

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Popular Name: (6aR)-4,5-bis[2-oxo-2-(p-tolyl)ethyl]-2-phenyl-1,6a-dihydropyrrolo[3,2-d]pyrazol-3-one (6aR)-4,5-bis[2-oxo-2-(p-tolyl)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) 4.88 13.03 -21.45 1 6 0 79 463.537 7 ↓

Analogs

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Popular Name: (6aR)-4,5-bis[2-(4-fluorophenyl)-2-oxo-ethyl]-2-phenyl-1,6a-dihydropyrrolo[3,2-d]pyrazol-3-one (6aR)-4,5-bis[2-(4-fluorophenyl)…

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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) 4.31 11.82 -22.73 1 6 0 79 471.463 7 ↓

Analogs

36635938
36635938

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Popular Name: (4Z,5R)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazolidin-3-one (4Z,5R)-4-[[3-(4-methoxyphenyl)-…

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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) 4.80 12.42 -14.19 1 6 0 59 436.515 5 ↓

Analogs

36635937
36635937

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Popular Name: (4Z,5S)-4-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methylene]-5-methyl-2-phenyl-pyrazolidin-3-one (4Z,5S)-4-[[3-(4-methoxyphenyl)-…

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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) 4.80 12.42 -14.09 1 6 0 59 436.515 5 ↓

Parameters Provided:

ring.id = 39849
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 = 39849 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=39849&filter.purchasability=annotated

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