ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

14549703

Analogs

14549704
14549705
14549706

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	4.46	12.06	-7.92	2	3	0	41	390.502	3	↓ MOL2 SDF SMILES Flexibase

14549704

Analogs

14549705
14549706
14549703

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	4.46	11.2	-7.85	2	3	0	41	390.502	3	↓ MOL2 SDF SMILES Flexibase

14549705

Analogs

14549706
14549703
14549704

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	4.46	10.45	-7.78	2	3	0	41	390.502	3	↓ MOL2 SDF SMILES Flexibase

14549706

Analogs

14549703
14549704
14549705

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro- 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)	4.46	11.7	-7.81	2	3	0	41	390.502	3	↓ MOL2 SDF SMILES Flexibase

14549789

Analogs

14549790
14549791
14549792

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl- 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	13.26	-7.86	1	3	0	32	404.529	3	↓ MOL2 SDF SMILES Flexibase

14549790

Analogs

14549791
14549792
14549789

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl- 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	12.41	-8.19	1	3	0	32	404.529	3	↓ MOL2 SDF SMILES Flexibase

14549791

Analogs

14549792
14549789
14549790

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl- 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	11.7	-8.31	1	3	0	32	404.529	3	↓ MOL2 SDF SMILES Flexibase

14549792

Analogs

14549789
14549790
14549791

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-4-(4-fluorophenyl)-3a,4,5,9b-tetrahydro-N-methyl- 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	13	-7.94	1	3	0	32	404.529	3	↓ MOL2 SDF SMILES Flexibase

14550291

Analogs

14550292
14550293
14550294

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	4.33	11.01	-8.72	2	4	0	50	402.538	4	↓ MOL2 SDF SMILES Flexibase

14550292

Analogs

14550293
14550294
14550291

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	4.33	11.06	-8.56	2	4	0	50	402.538	4	↓ MOL2 SDF SMILES Flexibase

14550293

Analogs

14550294
14550291
14550292

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	4.33	11.26	-8.98	2	4	0	50	402.538	4	↓ MOL2 SDF SMILES Flexibase

14550294

Analogs

14550291
14550292
14550293

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)- 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)	4.33	10.55	-8.37	2	4	0	50	402.538	4	↓ MOL2 SDF SMILES Flexibase

14550381

Analogs

14550382
14550383
14550384

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl- 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)	4.10	12.51	-8.98	1	4	0	42	416.565	4	↓ MOL2 SDF SMILES Flexibase

14550382

Analogs

14550383
14550384
14550381

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl- 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)	4.10	11.72	-12.4	1	4	0	42	416.565	4	↓ MOL2 SDF SMILES Flexibase

14550383

Analogs

14550384
14550381
14550382

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl- 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)	4.10	10.9	-9.27	1	4	0	42	416.565	4	↓ MOL2 SDF SMILES Flexibase

14550384

Analogs

14550381
14550382
14550383

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(3-methoxyphenyl)-N-methyl- 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)	4.10	12.2	-9.46	1	4	0	42	416.565	4	↓ MOL2 SDF SMILES Flexibase

14550819

Analogs

14550820
14550821
14550822

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)- 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)	4.25	12.66	-10.45	2	6	0	87	417.509	4	↓ MOL2 SDF SMILES Flexibase

14550820

Analogs

14550821
14550822
14550819

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)- 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)	4.25	11.81	-10.44	2	6	0	87	417.509	4	↓ MOL2 SDF SMILES Flexibase

14550821

Analogs

14550822
14550819
14550820

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)- 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)	4.25	11.32	-11.46	2	6	0	87	417.509	4	↓ MOL2 SDF SMILES Flexibase

14550822

Analogs

14550819
14550820
14550821

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-(4-nitrophenyl)- 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)	4.25	12.3	-10.05	2	6	0	87	417.509	4	↓ MOL2 SDF SMILES Flexibase

14550893

Analogs

14550894
14550895
14550896

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-(4-nitrophenyl)- 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)	4.03	13.86	-10.52	1	6	0	78	431.536	4	↓ MOL2 SDF SMILES Flexibase

14550894

Analogs

14550895
14550896
14550893

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-(4-nitrophenyl)- 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)	4.03	13.01	-11.09	1	6	0	78	431.536	4	↓ MOL2 SDF SMILES Flexibase

14550895

Analogs

14550896
14550893
14550894

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-(4-nitrophenyl)- 3H-cyclopenta[c]quinoline-6-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)	4.03	12.42	-11.03	1	6	0	78	431.536	4	↓ MOL2 SDF SMILES Flexibase

14550896

Analogs

14550893
14550894
14550895

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-(4-nitrophenyl)- 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)	4.03	13.6	-10.23	1	6	0	78	431.536	4	↓ MOL2 SDF SMILES Flexibase

14551337

Analogs

14551338
14551339
14551340
14480021
14480022

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-phenyl- 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)	4.30	11.71	-7.71	2	3	0	41	372.512	3	↓ MOL2 SDF SMILES Flexibase

14551338

Analogs

14551339
14551340
14480021
14480022
14480023

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-phenyl- 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)	4.30	11.76	-7.47	2	3	0	41	372.512	3	↓ MOL2 SDF SMILES Flexibase

14551339

Analogs

14551340
14480021
14480022
14480023
14480024

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-phenyl- 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)	4.30	11.96	-8.3	2	3	0	41	372.512	3	↓ MOL2 SDF SMILES Flexibase

14551340

Analogs

14551337
14551338
14551339
14480021
14480022

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-phenyl- 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)	4.30	11.25	-7.66	2	3	0	41	372.512	3	↓ MOL2 SDF SMILES Flexibase

14551419

Analogs

14551420
14551421
14551422
14480121
14480122

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-phenyl- 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)	4.07	13.07	-8.95	1	3	0	32	386.539	3	↓ MOL2 SDF SMILES Flexibase

14551420

Analogs

14551421
14551422
14480121
14480122
14480123

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-phenyl- 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)	4.07	12.32	-8.14	1	3	0	32	386.539	3	↓ MOL2 SDF SMILES Flexibase

14551421

Analogs

14551422
14480121
14480122
14480123
14480124

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-phenyl- 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)	4.07	11.75	-7.84	1	3	0	32	386.539	3	↓ MOL2 SDF SMILES Flexibase

14551422

Analogs

14551419
14551420
14551421
14480121
14480122

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-phenyl- 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)	4.07	12.79	-7.41	1	3	0	32	386.539	3	↓ MOL2 SDF SMILES Flexibase

14551963

Analogs

14551964
14551965
14551966
14552061
14552062

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]- 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)	4.73	12.73	-8.66	2	3	0	41	418.606	4	↓ MOL2 SDF SMILES Flexibase

14551964

Analogs

14551965
14551966
14552061
14552062
14552063

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]- 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)	4.73	12.78	-8.37	2	3	0	41	418.606	4	↓ MOL2 SDF SMILES Flexibase

14551965

Analogs

14551966
14552061
14552062
14552063
14552064

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]- 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)	4.73	12.99	-9.07	2	3	0	41	418.606	4	↓ MOL2 SDF SMILES Flexibase

14551966

Analogs

14552061
14552062
14552063
14551963
14551964

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-4-[4-(methylthio)phenyl]- 3H-cyclopenta[c]quinoline-6-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)	4.73	12.27	-8.07	2	3	0	41	418.606	4	↓ MOL2 SDF SMILES Flexibase

14552061

Analogs

14552062
14552063
14552064
14551963
14551964

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-[4-(methylthio)phenyl]- 3H-cyclopenta[c]quinoline-6-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)	4.50	14.11	-10.16	1	3	0	32	432.633	4	↓ MOL2 SDF SMILES Flexibase

14552062

Analogs

14552063
14552064
14551963
14551964
14551965

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-[4-(methylthio)phenyl]- 3H-cyclopenta[c]quinoline-6-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)	4.50	13.35	-8.38	1	3	0	32	432.633	4	↓ MOL2 SDF SMILES Flexibase

14552063

Analogs

14552064
14551963
14551964
14551965
14551966

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-[4-(methylthio)phenyl]- 3H-cyclopenta[c]quinoline-6-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)	4.50	12.77	-8.58	1	3	0	32	432.633	4	↓ MOL2 SDF SMILES Flexibase

14552064

Analogs

14552061
14552062
14552063
14551963
14551964

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-cyclohexyl-3a,4,5,9b-tetrahydro-N-methyl-4-[4-(methylthio)phenyl]- 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)	4.50	13.95	-8.68	1	3	0	32	432.633	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 243775 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=243775&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', {
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