ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

14550029

Analogs

14550030
14550031
14550032

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	8.04	-13.22	2	4	0	50	392.474	4	↓ MOL2 SDF SMILES Flexibase

14550030

Analogs

14550031
14550032
14550029

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.89	8.69	-12.91	2	4	0	50	392.474	4	↓ MOL2 SDF SMILES Flexibase

14550031

Analogs

14550032
14550029
14550030

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.89	9.22	-11.27	2	4	0	50	392.474	4	↓ MOL2 SDF SMILES Flexibase

14550032

Analogs

14550029
14550030
14550031

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.89	8.6	-13.22	2	4	0	50	392.474	4	↓ MOL2 SDF SMILES Flexibase

14550625

Analogs

14550626
14550627
14550628

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.76	7.23	-14.43	2	5	0	60	404.51	5	↓ MOL2 SDF SMILES Flexibase

14550626

Analogs

14550627
14550628
14550625

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	8.25	-11	2	5	0	60	404.51	5	↓ MOL2 SDF SMILES Flexibase

14550627

Analogs

14550628
14550625
14550626

Draw Identity 99% 90% 80% 70%

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

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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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.76	8.43	-11.23	2	5	0	60	404.51	5	↓ MOL2 SDF SMILES Flexibase

14550628

Analogs

14550625
14550626
14550627

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.76	7.77	-12.35	2	5	0	60	404.51	5	↓ MOL2 SDF SMILES Flexibase

14551109

Analogs

14551110
14551111
14551112

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.68	8.65	-17.76	2	7	0	96	419.481	5	↓ MOL2 SDF SMILES Flexibase

14551110

Analogs

14551111
14551112
14551109

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.68	9.29	-17.25	2	7	0	96	419.481	5	↓ MOL2 SDF SMILES Flexibase

14551111

Analogs

14551112
14551109
14551110

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.68	9.82	-15.47	2	7	0	96	419.481	5	↓ MOL2 SDF SMILES Flexibase

14551112

Analogs

14551109
14551110
14551111

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.68	9.21	-17.62	2	7	0	96	419.481	5	↓ MOL2 SDF SMILES Flexibase

14551651

Analogs

14551653
14551654
14458794
14458795
14458796

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.73	7.97	-11.33	2	4	0	50	374.484	4	↓ MOL2 SDF SMILES Flexibase

14551652

Analogs

14551653
14551654
14458794
14458795
14458796

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.73	8.95	-9.57	2	4	0	50	374.484	4	↓ MOL2 SDF SMILES Flexibase

14551653

Analogs

14551654
14458794
14458795
14458796
14458797

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.73	9.13	-10.06	2	4	0	50	374.484	4	↓ MOL2 SDF SMILES Flexibase

14551654

Analogs

14458794
14458795
14458796
14458797
14463520

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	3.73	8.54	-11.63	2	4	0	50	374.484	4	↓ MOL2 SDF SMILES Flexibase

14552305

Analogs

14552306
14552307
14552308

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	4.16	8.91	-13.54	2	4	0	50	420.578	5	↓ MOL2 SDF SMILES Flexibase

14552306

Analogs

14552307
14552308
14552305

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	4.16	9.69	-12.2	2	4	0	50	420.578	5	↓ MOL2 SDF SMILES Flexibase

14552307

Analogs

14552308
14552305
14552306

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	4.16	10.22	-11.04	2	4	0	50	420.578	5	↓ MOL2 SDF SMILES Flexibase

14552308

Analogs

14552305
14552306
14552307

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-[(tetrahydro-2-furanyl)methyl]- 3H-cyclopenta[c]quinoline-8-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)	4.16	9.48	-12.57	2	4	0	50	420.578	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 243973
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 = 243973 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243973&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": "243973"        

    });
</script>

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Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results