UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20895443
20895443

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Popular Name: N-[(5R)-4-acetyl-5-[5-(p-tolylsulfanyl)-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-(p-tolylsu…

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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 8.62 -18.35 1 6 0 75 375.475 4 ↓

Analogs

20895440
20895440

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Popular Name: N-[(5S)-4-acetyl-5-[5-(p-tolylsulfanyl)-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-(p-tolylsu…

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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 8.62 -18.24 1 6 0 75 375.475 4 ↓

Analogs

20895447
20895447

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Popular Name: N-[(5R)-4-acetyl-5-[5-(4-chlorophenyl)sulfanyl-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5R)-4-acetyl-5-[5-(4-chlorop…

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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) 2.88 8.5 -16.92 1 6 0 75 395.893 4 ↓

Analogs

20895445
20895445

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5S)-4-acetyl-5-[5-(4-chlorophenyl)sulfanyl-2-furyl]-5H-1,3,4-thiadiazol-2-yl]acetamide N-[(5S)-4-acetyl-5-[5-(4-chlorop…

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) 2.88 8.5 -16.89 1 6 0 75 395.893 4 ↓

Parameters Provided:

ring.id = 79666
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 = 79666 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=79666&filter.purchasability=annotated

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