UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

25045004
25045004
25902363
25902363
36674364
36674364
39563801
39563801

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Popular Name: [3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]-(1-piperidyl)methanone [3-(5-methyl-2-furyl)-1-phenyl-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) 2.50 11.01 -16.74 0 5 0 51 335.407 3 ↓

Analogs

20893339
20893339
39563801
39563801

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Popular Name: [3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]-[(3R)-3-methyl-1-piperidyl]methanone [3-(5-methyl-2-furyl)-1-phenyl-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) 2.74 10.74 -17.06 0 5 0 51 349.434 3 ↓

Analogs

39563801
39563801
20893337
20893337

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Popular Name: [3-(5-methyl-2-furyl)-1-phenyl-pyrazol-4-yl]-[(3S)-3-methyl-1-piperidyl]methanone [3-(5-methyl-2-furyl)-1-phenyl-p…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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 11.59 -16.67 0 5 0 51 349.434 3 ↓

Parameters Provided:

ring.id = 75603
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 = 75603 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=75603&filter.purchasability=annotated

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