UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

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Popular Name: 3-Methyl-1,5-cyclooctadiene 3-Methyl-1,5-cyclooctadiene

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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) 2.76 6.33 -0.47 0 0 0 0 122.211 0 ↓

Analogs

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Popular Name: 3-Methyl-1,5-cyclooctadiene 3-Methyl-1,5-cyclooctadiene

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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) 2.76 6.33 -0.49 0 0 0 0 122.211 0 ↓

Analogs

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Popular Name: (8E)-6,7,10,11-tetrahydrocycloocta[b]quinoxaline (8E)-6,7,10,11-tetrahydrocyclooc…

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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) 3.49 6.31 -6.68 0 2 0 26 210.28 0 ↓

Analogs

38582344
38582344

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Popular Name: 2,6-Cyclooctadien-1-ol, 1-ethynyl- (9CI) 2,6-Cyclooctadien-1-ol, 1-ethyny…

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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) 2.08 3.42 -3.55 1 1 0 20 148.205 0 ↓

Analogs

38582341
38582341

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Popular Name: 2,6-Cyclooctadien-1-ol, 1-ethynyl- (9CI) 2,6-Cyclooctadien-1-ol, 1-ethyny…

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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) 2.08 3.41 -3.46 1 1 0 20 148.205 0 ↓

Parameters Provided:

ring.id = 177964
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 = 177964 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=177964&filter.purchasability=annotated

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