UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: benzylsulfanyl-ethyl-(3-methoxyphenyl)BLAHone benzylsulfanyl-ethyl-(3-methoxyp…

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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) 5.23 11.98 -12.45 0 5 0 47 463.628 6 ↓

Analogs

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Popular Name: ethyl-(3-methoxyphenyl)-[(3-methoxyphenyl)methylsulfanyl]BLAHone ethyl-(3-methoxyphenyl)-[(3-meth…

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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) 5.26 11.29 -13.79 0 6 0 57 493.654 7 ↓

Analogs

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Popular Name: 3-[[ethyl-(3-methoxyphenyl)-oxo-BLAHyl]sulfanylmethyl]benzonitrile 3-[[ethyl-(3-methoxyphenyl)-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) 4.96 12.36 -15.94 0 6 0 71 488.638 6 ↓

Analogs

39869389
39869389
39869452
39869452
39869453
39869453
39869483
39869483
39869546
39869546

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Popular Name: (2,4-dichlorophenyl)methylsulfanyl-methyl-phenyl-BLAHone (2,4-dichlorophenyl)methylsulfan…

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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) 5.89 13.1 -11.4 0 4 0 38 488.465 4 ↓

Parameters Provided:

ring.id = 41395
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 = 41395 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=41395&filter.purchasability=annotated

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