UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: N-(6-bromo-2-pyridyl)-5-[(3R)-dithiolan-3-yl]pentanamide N-(6-bromo-2-pyridyl)-5-[(3R)-di…

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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) 4.06 9.97 -18.31 1 3 0 42 361.33 6 ↓

Analogs

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Popular Name: N-(6-bromo-2-pyridyl)-5-[(3S)-dithiolan-3-yl]pentanamide N-(6-bromo-2-pyridyl)-5-[(3S)-di…

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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) 4.06 9.99 -18.24 1 3 0 42 361.33 6 ↓

Analogs

41975348
41975348

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Popular Name: 5-[(3R)-dithiolan-3-yl]-N-(2-pyridyl)pentanamide 5-[(3R)-dithiolan-3-yl]-N-(2-pyr…

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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) 2.91 9.48 -16.74 1 3 0 42 282.434 6 ↓

Analogs

41975346
41975346

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(3S)-dithiolan-3-yl]-N-(2-pyridyl)pentanamide 5-[(3S)-dithiolan-3-yl]-N-(2-pyr…

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) 2.91 9.51 -16.71 1 3 0 42 282.434 6 ↓

Parameters Provided:

ring.id = 105263
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 = 105263 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=105263&filter.purchasability=annotated

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