UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

2799615
2799615
2803056
2803056
2803057
2803057
2209584
2209584
2209583
2209583

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Popular Name: tert-amyl(4-pyridyl)BLAH tert-amyl(4-pyridyl)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) 5.07 0.48 -8.54 0 5 0 55 377.517 3 ↓

Analogs

2799614
2799614

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Popular Name: tert-amyl(4-pyridyl)BLAH tert-amyl(4-pyridyl)BLAH

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) 5.07 0.48 -8.56 0 5 0 55 377.517 3 ↓

Analogs

2799614
2799614

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Popular Name: ethyl(4-pyridyl)BLAH ethyl(4-pyridyl)BLAH

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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) 3.91 -0.44 -8.78 0 5 0 55 335.436 2 ↓

Analogs

2799614
2799614

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl(4-pyridyl)BLAH ethyl(4-pyridyl)BLAH

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) 3.91 -0.44 -8.76 0 5 0 55 335.436 2 ↓

Parameters Provided:

ring.id = 241253
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 = 241253 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=241253&filter.purchasability=annotated

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