ZINC 12

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Quick Search ZINC ID or SMILES

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

14549554

Analogs

14549555
14549556
14549557

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.19	9.42	-12.47	2	4	0	58	448.563	6	↓ MOL2 SDF SMILES Flexibase

14549555

Analogs

14549556
14549557
14549554

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.19	9.99	-12.87	2	4	0	58	448.563	6	↓ MOL2 SDF SMILES Flexibase

14549556

Analogs

14549557
14549554
14549555

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.19	10.65	-11.98	2	4	0	58	448.563	6	↓ MOL2 SDF SMILES Flexibase

14549557

Analogs

14549554
14549555
14549556

Draw Identity 99% 90% 80% 70%

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

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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)	5.19	10.14	-12.7	2	4	0	58	448.563	6	↓ MOL2 SDF SMILES Flexibase

14550100

Analogs

14550101
14550102
14550103

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.06	8.63	-11.69	2	5	0	67	460.599	7	↓ MOL2 SDF SMILES Flexibase

14550101

Analogs

14550102
14550103
14550100

Draw Identity 99% 90% 80% 70%

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

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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)	5.06	9.38	-12.22	2	5	0	67	460.599	7	↓ MOL2 SDF SMILES Flexibase

14550102

Analogs

14550103
14550100
14550101

Draw Identity 99% 90% 80% 70%

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

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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)	5.06	9.85	-11.54	2	5	0	67	460.599	7	↓ MOL2 SDF SMILES Flexibase

14550103

Analogs

14550100
14550101
14550102

Draw Identity 99% 90% 80% 70%

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

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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)	5.06	9.19	-12.4	2	5	0	67	460.599	7	↓ MOL2 SDF SMILES Flexibase

14550695

Analogs

14550696
14550697
14550698

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.99	10.04	-18.84	2	7	0	104	475.57	7	↓ MOL2 SDF SMILES Flexibase

14550696

Analogs

14550697
14550698
14550695

Draw Identity 99% 90% 80% 70%

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

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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)	4.99	10.59	-17.3	2	7	0	104	475.57	7	↓ MOL2 SDF SMILES Flexibase

14550697

Analogs

14550698
14550695
14550696

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.99	11.25	-15.87	2	7	0	104	475.57	7	↓ MOL2 SDF SMILES Flexibase

14550698

Analogs

14550695
14550696
14550697

Draw Identity 99% 90% 80% 70%

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

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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)	4.99	10.72	-16.78	2	7	0	104	475.57	7	↓ MOL2 SDF SMILES Flexibase

14551175

Analogs

14551176
14551177
14551178

Draw Identity 99% 90% 80% 70%

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

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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)	5.03	9.34	-10.72	2	4	0	58	430.573	6	↓ MOL2 SDF SMILES Flexibase

14551176

Analogs

14551177
14551178
14551175

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.03	9.9	-11.93	2	4	0	58	430.573	6	↓ MOL2 SDF SMILES Flexibase

14551177

Analogs

14551178
14551175
14551176

Draw Identity 99% 90% 80% 70%

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

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)	5.03	10.57	-10.42	2	4	0	58	430.573	6	↓ MOL2 SDF SMILES Flexibase

14551178

Analogs

14551175
14551176
14551177

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-phenyl-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.03	10.11	-11.32	2	4	0	58	430.573	6	↓ MOL2 SDF SMILES Flexibase

14551729

Analogs

14551730
14551731
14551732

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.46	10.36	-12.13	2	4	0	58	476.667	7	↓ MOL2 SDF SMILES Flexibase

14551730

Analogs

14551731
14551732
14551729

Draw Identity 99% 90% 80% 70%

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

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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)	5.46	11.06	-12.47	2	4	0	58	476.667	7	↓ MOL2 SDF SMILES Flexibase

14551731

Analogs

14551732
14551729
14551730

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.46	11.62	-11.76	2	4	0	58	476.667	7	↓ MOL2 SDF SMILES Flexibase

14551732

Analogs

14551729
14551730
14551731

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]-N-(2-phenylethyl)- 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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.46	10.95	-12.52	2	4	0	58	476.667	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 243730
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 = 243730 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=243730&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": "243730"        

    });
</script>

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Parameters Provided:

Structural Results Found: (before additional filtering)

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