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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

22698179

Analogs

39973201

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3aR,4R,9bS)-8-[(2-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]be 4-[(3aR,4R,9bS)-8-[(2-methoxyphe…

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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)	4.84	8.17	-67.77	2	7	-1	108	475.546	6	↓ MOL2 SDF SMILES Flexibase

22698182

Analogs

39973201

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3aS,4R,9bS)-8-[(2-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]be 4-[(3aS,4R,9bS)-8-[(2-methoxyphe…

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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)	4.84	8.06	-66.22	2	7	-1	108	475.546	6	↓ MOL2 SDF SMILES Flexibase

22698185

Analogs

39973201

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3aS,4S,9bS)-8-[(2-methoxyphenyl)sulfamoyl]-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-4-yl]be 4-[(3aS,4S,9bS)-8-[(2-methoxyphe…

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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)	4.84	8.72	-56.89	2	7	-1	108	475.546	6	↓ MOL2 SDF SMILES Flexibase

14549549

Analogs

36559299

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-ethyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-phenyl- 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)	5.71	10.94	-12.14	1	4	0	49	448.563	5	↓ MOL2 SDF SMILES Flexibase

14549550

Analogs

14549551
14549552
14549553

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-phenyl- 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)	5.09	8.43	-13.46	2	4	0	58	420.509	4	↓ MOL2 SDF SMILES Flexibase

14549551

Analogs

14549552
14549553
14549550

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-phenyl- 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)	5.09	9.05	-12.07	2	4	0	58	420.509	4	↓ MOL2 SDF SMILES Flexibase

14549552

Analogs

14549553
14549550
14549551

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-phenyl- 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)	5.09	9.66	-11.25	2	4	0	58	420.509	4	↓ MOL2 SDF SMILES Flexibase

14549553

Analogs

14549550
14549551
14549552

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-phenyl- 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)	5.09	9.16	-13.39	2	4	0	58	420.509	4	↓ MOL2 SDF SMILES Flexibase

14549675

Analogs

14549676
14549677
14549678
14549757
14549758

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.91	9.94	-13.15	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549676

Analogs

14549677
14549678
14549757
14549758
14549759

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.91	10.45	-11.99	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549677

Analogs

14549678
14549757
14549758
14549759
14549760

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.91	11.17	-10.93	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549678

Analogs

14549757
14549758
14549759
14549760
14549675

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,4-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.91	10.66	-12.65	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549679

Analogs

14549680
14549681
14549682
20033562
8674143

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.91	9.77	-13.51	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549680

Analogs

14549681
14549682
20033562
14549679
8674143

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.91	10.39	-12.07	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549681

Analogs

14549682
20033562
14549679
14549680
8674143

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.91	10.99	-11.35	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549682

Analogs

20033562
14549679
14549680
14549681
8674143

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(3,5-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.91	10.48	-13.12	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549683

Analogs

14549684
14549685
14549686

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.52	8.65	-13.37	2	5	0	67	464.562	6	↓ MOL2 SDF SMILES Flexibase

14549684

Analogs

14549685
14549686
14549683

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.52	9.27	-12.71	2	5	0	67	464.562	6	↓ MOL2 SDF SMILES Flexibase

14549685

Analogs

14549686
14549683
14549684

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.52	9.88	-11.56	2	5	0	67	464.562	6	↓ MOL2 SDF SMILES Flexibase

14549686

Analogs

14549683
14549684
14549685

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(4-ethoxyphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.52	9.38	-14.13	2	5	0	67	464.562	6	↓ MOL2 SDF SMILES Flexibase

14549707

Analogs

36559301

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl-N-phenyl- 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)	5.33	10.09	-14.46	1	4	0	49	434.536	4	↓ MOL2 SDF SMILES Flexibase

14549757

Analogs

14549758
14549759
14549760
14549675
14549676

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,6-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.89	10.07	-13.36	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549758

Analogs

14549759
14549760
14549675
14549676
14549677

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,6-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.89	10.65	-11.52	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549759

Analogs

14549760
14549675
14549676
14549677
14549678

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,6-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.89	11.32	-10.98	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14549760

Analogs

14549675
14549676
14549677
14549678
14549757

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,6-dimethylphenyl)-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	5.89	10.81	-12.79	2	4	0	58	448.563	4	↓ MOL2 SDF SMILES Flexibase

14550081

Analogs

14550082
14550083
14550084
20058198
20058199

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(4-methoxyphenyl)- 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)	5.01	6.96	-12.86	2	6	0	77	462.571	6	↓ MOL2 SDF SMILES Flexibase

14550082

Analogs

14550083
14550084
20058198
20058199
14550081

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(4-methoxyphenyl)- 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)	5.01	7.56	-13.43	2	6	0	77	462.571	6	↓ MOL2 SDF SMILES Flexibase

14550083

Analogs

14550084
20058198
20058199
6292425

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(4-methoxyphenyl)- 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)	5.01	8.24	-11.65	2	6	0	77	462.571	6	↓ MOL2 SDF SMILES Flexibase

14550084

Analogs

20058198
20058199
6292425

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-(4-methoxyphenyl)- 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)	5.01	8.01	-11.56	2	6	0	77	462.571	6	↓ MOL2 SDF SMILES Flexibase

14550097

Analogs

36559304

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-ethyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-phenyl- 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)	5.58	10.18	-12.31	1	5	0	59	460.599	6	↓ MOL2 SDF SMILES Flexibase

14550098

Analogs

14550099
653926
1461908
8454114

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(3,4-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.78	10.16	-11.29	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550099

Analogs

653926
14550098

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(3,4-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.78	9.72	-11.3	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550256

Analogs

14550257
14550258
14550349
14550350
14550351

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,4-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.78	9.77	-12.99	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550257

Analogs

14550258
14550349
14550350
43773493
14550256

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,4-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.78	10.45	-10.48	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550258

Analogs

14550349
14550350
14550351
14550352
43773493

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,4-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.78	10.22	-10.25	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550259

Analogs

14550260
14550261
14550262

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(3,5-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.78	9.03	-10.92	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550260

Analogs

14550261
14550262
14550259

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(3,5-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.78	9.66	-11.55	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550261

Analogs

14550262
14550259
14550260

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(3,5-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.78	10.24	-11.13	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550262

Analogs

14550259
14550260
14550261

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(3,5-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.78	9.83	-11.5	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550263

Analogs

14550264
14550265
14550266

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.39	7.89	-12.69	2	6	0	77	476.598	7	↓ MOL2 SDF SMILES Flexibase

14550264

Analogs

14550265
14550266
14550263

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.39	8.49	-13.18	2	6	0	77	476.598	7	↓ MOL2 SDF SMILES Flexibase

14550265

Analogs

14550266
14550263
14550264

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.39	9.17	-11.46	2	6	0	77	476.598	7	↓ MOL2 SDF SMILES Flexibase

14550266

Analogs

14550263
14550264
14550265

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.39	8.95	-11.66	2	6	0	77	476.598	7	↓ MOL2 SDF SMILES Flexibase

14550295

Analogs

36559307

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl-N-phenyl- 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)	5.20	9.32	-12.32	1	5	0	59	446.572	5	↓ MOL2 SDF SMILES Flexibase

14550349

Analogs

14550350
14550351
14550352
14550256
14550257

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,6-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.76	9.31	-10.31	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550350

Analogs

14550351
14550352
14550256
14550257

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,6-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.76	9.9	-11.26	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550351

Analogs

14550352
14550349
14550350
9805185
14166066

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,6-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.76	10.55	-10.48	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550352

Analogs

14550349
14550350
14550351
9805185

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N-(2,6-dimethylphenyl)-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	5.76	10	-11.05	2	5	0	67	460.599	5	↓ MOL2 SDF SMILES Flexibase

14550673

Analogs

14550674
14550675
14550676

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-N-(4-methoxyphenyl)-4-(4-nitrophenyl)- 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)	4.94	8.33	-18.7	2	8	0	113	477.542	6	↓ MOL2 SDF SMILES Flexibase

14550674

Analogs

14550675
14550676
14550673

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 3a,4,5,9b-tetrahydro-N-(4-methoxyphenyl)-4-(4-nitrophenyl)- 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)	4.94	8.99	-17.11	2	8	0	113	477.542	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 106699
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 = 106699 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=106699&filter.purchasability=annotated

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<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": "106699"        

    });
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