UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

9707583
9707583
9346553
9346553
9346555
9346555
9346551
9346551

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Popular Name: N-[5-(3-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]-4-(1-piperidylsulfonyl)benzamide N-[5-(3-methylsulfanylphenyl)-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) 3.45 4.5 -20.56 1 8 0 105 458.565 6 ↓
Hi High (pH 8-9.5) 3.52 2.38 -55.45 0 8 -1 112 457.557 6 ↓

Analogs

9707602
9707602
9707616
9707616
9346684
9346684

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Popular Name: N-[5-(2-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-(1-piperidylsulfonyl)benzamide N-[5-(2-methylsulfonylphenyl)-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) 2.30 -9.03 -26.23 1 10 0 139 490.563 6 ↓

Analogs

9707629
9707629
60263580
60263580
9346730
9346730
9346729
9346729

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Popular Name: N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]-4-(1-piperidylsulfonyl)benzamide N-[5-(3-methylsulfonylphenyl)-1,…

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) 1.89 -10.51 -27.86 1 10 0 139 490.563 6 ↓

Parameters Provided:

ring.id = 7933
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 = 7933 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=7933&filter.purchasability=annotated

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