UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

20894687
20894687
9965660
9965660
9965661
9965661

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Popular Name: (2R)-N-methyl-2-(oxo-phenyl-BLAHyl)sulfanyl-N-phenyl-propanamide (2R)-N-methyl-2-(oxo-phenyl-BLAH…

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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) 4.53 14.63 -19.53 0 7 0 73 473.602 5 ↓

Analogs

20894685
20894685
9965660
9965660
9965661
9965661

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Popular Name: (2S)-N-methyl-2-(oxo-phenyl-BLAHyl)sulfanyl-N-phenyl-propanamide (2S)-N-methyl-2-(oxo-phenyl-BLAH…

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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) 4.53 14.66 -19.62 0 7 0 73 473.602 5 ↓

Analogs

12980846
12980846
12982942
12982942
15183819
15183819
59352980
59352980
59503766
59503766

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Popular Name: N-(4-dimethylaminophenyl)-2-(oxo-phenyl-BLAHyl)sulfanyl-acetamide N-(4-dimethylaminophenyl)-2-(oxo…

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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) 4.03 12.55 -21.61 1 8 0 85 488.617 6 ↓

Parameters Provided:

ring.id = 79210
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 = 79210 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=79210&filter.purchasability=annotated

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