ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

14549729

Analogs

14549730
14549731
14549732

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	13.05	-10.18	2	3	0	41	412.508	5	↓ MOL2 SDF SMILES Flexibase

14549730

Analogs

14549731
14549732
14549729

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	12.39	-9.86	2	3	0	41	412.508	5	↓ MOL2 SDF SMILES Flexibase

14549731

Analogs

14549732
14549729
14549730

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	11.53	-9.45	2	3	0	41	412.508	5	↓ MOL2 SDF SMILES Flexibase

14549732

Analogs

14549729
14549730
14549731

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	12.8	-9.47	2	3	0	41	412.508	5	↓ MOL2 SDF SMILES Flexibase

14550321

Analogs

14550322
14550323
14550324

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	11.02	-11.8	2	4	0	50	424.544	6	↓ MOL2 SDF SMILES Flexibase

14550322

Analogs

14550323
14550324
14550321

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	12.21	-11.81	2	4	0	50	424.544	6	↓ MOL2 SDF SMILES Flexibase

14550323

Analogs

14550324
14550321
14550322

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	12.39	-10.36	2	4	0	50	424.544	6	↓ MOL2 SDF SMILES Flexibase

14550324

Analogs

14550321
14550322
14550323

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.23	11.51	-10.39	2	4	0	50	424.544	6	↓ MOL2 SDF SMILES Flexibase

14550845

Analogs

14550846
14550847
14550848

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	13.76	-12.27	2	6	0	87	439.515	6	↓ MOL2 SDF SMILES Flexibase

14550846

Analogs

14550847
14550848
14550845

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	12.98	-12.61	2	6	0	87	439.515	6	↓ MOL2 SDF SMILES Flexibase

14550847

Analogs

14550848
14550845
14550846

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	12.13	-12.2	2	6	0	87	439.515	6	↓ MOL2 SDF SMILES Flexibase

14550848

Analogs

14550845
14550846
14550847

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	13.4	-11.81	2	6	0	87	439.515	6	↓ MOL2 SDF SMILES Flexibase

14551363

Analogs

14551364
14551365
14551366
14480061
14480062

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.19	12.98	-10.38	2	3	0	41	394.518	5	↓ MOL2 SDF SMILES Flexibase

14551364

Analogs

14551365
14551366
14480061
14480062
14480063

Draw Identity 99% 90% 80% 70%

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

Find On: PubMed — Wikipedia — Google

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.19	12.31	-9.66	2	3	0	41	394.518	5	↓ MOL2 SDF SMILES Flexibase

14551365

Analogs

14551366
14480061
14480062
14480063
14480064

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.19	11.72	-9.78	2	3	0	41	394.518	5	↓ MOL2 SDF SMILES Flexibase

14551366

Analogs

14551363
14551364
14551365
14480061
14480062

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.19	12.73	-9.83	2	3	0	41	394.518	5	↓ MOL2 SDF SMILES Flexibase

14552001

Analogs

14552002
14552003
14552004

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	12.48	-9.9	2	3	0	41	440.612	6	↓ MOL2 SDF SMILES Flexibase

14552002

Analogs

14552003
14552004
14552001

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	13.76	-9.93	2	3	0	41	440.612	6	↓ MOL2 SDF SMILES Flexibase

14552003

Analogs

14552004
14552001
14552002

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	14.11	-10.78	2	3	0	41	440.612	6	↓ MOL2 SDF SMILES Flexibase

14552004

Analogs

14552001
14552002
14552003

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.63	13.33	-10.09	2	3	0	41	440.612	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 243789
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 = 243789 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243789&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "243789"        

    });
</script>

ZINC 12

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

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