UCSF
ZINC Item Suppliers, Protomers, & Similar Substances

Analogs

14548686
14548686
14548687
14548687
14548688
14548688
14548725
14548725
14548726
14548726

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-(phenylmethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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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) 3.69 11.31 -8.98 2 3 0 41 386.52 4 ↓

Analogs

14548687
14548687
14548688
14548688
14548725
14548725
14548726
14548726
14548727
14548727

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-(phenylmethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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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) 3.69 10.71 -8.17 2 3 0 41 386.52 4 ↓

Analogs

14548688
14548688
14548725
14548725
14548726
14548726
14548727
14548727
14548728
14548728

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-(phenylmethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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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) 3.69 10.39 -8.1 2 3 0 41 386.52 4 ↓

Analogs

14548725
14548725
14548726
14548726
14548727
14548727
14548685
14548685
14548686
14548686

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-(phenylmethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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) 3.69 10.82 -7.24 2 3 0 41 386.52 4 ↓

Analogs

14548710
14548710
14548711
14548711
14548712
14548712

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-(1-phenylethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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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) 4.25 12.11 -8.82 2 3 0 41 400.547 4 ↓

Analogs

14548711
14548711
14548712
14548712
14548709
14548709

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-(1-phenylethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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) 4.25 12.12 -9.01 2 3 0 41 400.547 4 ↓

Analogs

14548712
14548712
14548709
14548709
14548710
14548710

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-(1-phenylethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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) 4.25 11.66 -8.63 2 3 0 41 400.547 4 ↓

Analogs

14548709
14548709
14548710
14548710
14548711
14548711

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-(1-phenylethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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) 4.25 11.66 -8.57 2 3 0 41 400.547 4 ↓

Analogs

14548726
14548726
14548727
14548727
14548728
14548728
14548685
14548685
14548686
14548686

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-N-(phenylmethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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) 3.46 12.9 -11.24 1 3 0 32 400.547 4 ↓

Analogs

14548727
14548727
14548728
14548728
14548685
14548685
14548686
14548686
14548687
14548687

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-N-(phenylmethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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) 3.46 12.22 -10.4 1 3 0 32 400.547 4 ↓

Analogs

14548728
14548728
14548685
14548685
14548686
14548686
14548687
14548687
14548688
14548688

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-N-(phenylmethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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) 3.46 11.83 -8.78 1 3 0 32 400.547 4 ↓

Analogs

14548725
14548725
14548726
14548726
14548727
14548727
14548685
14548685
14548686
14548686

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-N-methyl-N-(phenylmethyl)-4-(2-thienyl)- 3H-cyclopenta[c]quinoline-6-carb…

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) 3.46 12.46 -8.7 1 3 0 32 400.547 4 ↓

Parameters Provided:

ring.id = 243318
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 = 243318 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=243318&filter.purchasability=annotated

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