UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 1-(1H-indol-3-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]ethanone 1-(1H-indol-3-yl)-2-[(1-oxido-2-…

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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) 1.52 -0.3 -40.34 1 4 0 58 284.34 4 ↓

Analogs

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Popular Name: 1-(7-ethyl-1H-indol-3-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]ethanone 1-(7-ethyl-1H-indol-3-yl)-2-[(1-…

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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) 2.39 0.18 -40.17 1 4 0 58 312.394 5 ↓

Analogs

5780144
5780144

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Popular Name: 1-(2-methyl-1H-indol-3-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]propan-1-one 1-(2-methyl-1H-indol-3-yl)-2-[(1…

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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) 2.10 0.2 -23.26 1 4 0 58 312.394 4 ↓

Analogs

5780143
5780143

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methyl-1H-indol-3-yl)-2-[(1-oxido-2-pyridyl)sulfanyl]propan-1-one 1-(2-methyl-1H-indol-3-yl)-2-[(1…

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) 2.10 0.2 -22.88 1 4 0 58 312.394 4 ↓

Parameters Provided:

ring.id = 2608
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 = 2608 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=2608&filter.purchasability=annotated

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