UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]thiomorpholine 4-[(2-methyl-1H-imidazol-5-yl)su…

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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) 0.00 1.53 -10.69 1 5 0 66 247.345 2 ↓
Lo Low (pH 4.5-6) 0.00 2 -39.81 2 5 1 67 248.353 2 ↓

Analogs

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Popular Name: 4-[(2-ethyl-1H-imidazol-5-yl)sulfonyl]thiomorpholine 4-[(2-ethyl-1H-imidazol-5-yl)sul…

Find On: PubMed — Wikipedia — Google

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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) 0.57 2.17 -10.34 1 5 0 66 261.372 3 ↓
Lo Low (pH 4.5-6) 0.57 2.61 -38.68 2 5 1 67 262.38 3 ↓

Analogs

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Popular Name: (3S)-3-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]thiomorpholine (3S)-3-methyl-4-[(2-methyl-1H-im…

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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) 0.33 2.39 -10.11 1 5 0 66 261.372 2 ↓
Lo Low (pH 4.5-6) 0.33 2.87 -38.6 2 5 1 67 262.38 2 ↓

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-4-[(2-methyl-1H-imidazol-5-yl)sulfonyl]thiomorpholine (3R)-3-methyl-4-[(2-methyl-1H-im…

Find On: PubMed — Wikipedia — Google

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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) 0.33 2.05 -9.84 1 5 0 66 261.372 2 ↓
Lo Low (pH 4.5-6) 0.33 2.52 -38.77 2 5 1 67 262.38 2 ↓

Parameters Provided:

ring.id = 503848
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 = 503848 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=503848&filter.purchasability=annotated

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