UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14548910
14548910
14548911
14548911
14548912
14548912

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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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) 3.50 5.29 -10.92 2 5 0 67 416.568 5 ↓

Analogs

14548911
14548911
14548912
14548912
14548909
14548909

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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) 3.50 5.94 -9.94 2 5 0 67 416.568 5 ↓

Analogs

14548912
14548912
14548909
14548909
14548910
14548910

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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) 3.50 6.07 -10.29 2 5 0 67 416.568 5 ↓

Analogs

14548909
14548909
14548910
14548910
14548911
14548911

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-8-sulf…

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) 3.50 5.66 -12.2 2 5 0 67 416.568 5 ↓

Parameters Provided:

ring.id = 243424
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 = 243424 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=243424&filter.purchasability=annotated

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