ZINC 12

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Quick Search ZINC ID or SMILES

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Query Details

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ZINC Item

Suppliers, Protomers, & Similar Substances

14547629

Analogs

14547670
14547671
14547672
14547673
20751295

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta[c]quinolin-8-yl]- propanamide, 2-methyl-N-[3a,4,5,…

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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)	3.22	7.89	-10.15	2	4	0	54	333.435	3	↓ MOL2 SDF SMILES Flexibase

14547628

Analogs

14547629
14547670
14547671
14547672
14547673

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta[c]quinolin-8-yl]- propanamide, 2-methyl-N-[3a,4,5,…

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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)	3.22	8.36	-11.42	2	4	0	54	333.435	3	↓ MOL2 SDF SMILES Flexibase

14547627

Analogs

14547628
14547629
14547670
14547671
14547672

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta[c]quinolin-8-yl]- propanamide, 2-methyl-N-[3a,4,5,…

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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)	3.22	7.59	-12.02	2	4	0	54	333.435	3	↓ MOL2 SDF SMILES Flexibase

14547626

Analogs

14547627
14547628
14547629
14547670
14547671

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-methyl-N-[3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta[c]quinolin-8-yl]- propanamide, 2-methyl-N-[3a,4,5,…

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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)	3.22	7.01	-12.78	2	4	0	54	333.435	3	↓ MOL2 SDF SMILES Flexibase

14547625

Analogs

20751289
20751292
14547622
14547623

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-N-phenyl-4-(3-pyridinyl)- 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)	3.47	11.83	-11.63	1	4	0	45	395.506	4	↓ MOL2 SDF SMILES Flexibase

14547624

Analogs

14547625
20751289
20751292
14547622
14547623

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-N-phenyl-4-(3-pyridinyl)- 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)	3.47	10.06	-9.46	1	4	0	45	395.506	4	↓ MOL2 SDF SMILES Flexibase

14547623

Analogs

14547624
14547625
20751289
20751292
14547622

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-N-phenyl-4-(3-pyridinyl)- 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)	3.47	11.17	-10.38	1	4	0	45	395.506	4	↓ MOL2 SDF SMILES Flexibase

14547622

Analogs

14547623
14547624
14547625
20751289
20751292

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-6-carboxamide, N-ethyl-3a,4,5,9b-tetrahydro-N-phenyl-4-(3-pyridinyl)- 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)	3.47	11.85	-11.94	1	4	0	45	395.506	4	↓ MOL2 SDF SMILES Flexibase

14549046

Analogs

20753294
20753297
14549043
14549044

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(9-anthracenyl)-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)	7.22	14	-11.18	2	4	0	58	502.639	4	↓ MOL2 SDF SMILES Flexibase

14549045

Analogs

14549046
20753294
20753297
14549043
14549044

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(9-anthracenyl)-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)	7.22	14.11	-11.3	2	4	0	58	502.639	4	↓ MOL2 SDF SMILES Flexibase

14549044

Analogs

14549045
14549046
20753294
20753297
14549043

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(9-anthracenyl)-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)	7.22	12.95	-13.9	2	4	0	58	502.639	4	↓ MOL2 SDF SMILES Flexibase

14549043

Analogs

14549044
14549045
14549046
20753294
20753297

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, 4-(9-anthracenyl)-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)	7.22	10.45	-16.74	2	4	0	58	502.639	4	↓ MOL2 SDF SMILES Flexibase

14547303

Analogs

20750821
20750823
14547300
14547301

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N,N-diethyl-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)- 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)	2.99	7.14	-14.64	1	5	0	62	383.517	5	↓ MOL2 SDF SMILES Flexibase

14547302

Analogs

14547303
20750821
20750823
14547300
14547301

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N,N-diethyl-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)- 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)	2.99	7.71	-11.89	1	5	0	62	383.517	5	↓ MOL2 SDF SMILES Flexibase

14547301

Analogs

14547302
14547303
20750821
20750823
14547300

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N,N-diethyl-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)- 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)	2.99	6.98	-11.77	1	5	0	62	383.517	5	↓ MOL2 SDF SMILES Flexibase

14547300

Analogs

14547301
14547302
14547303
20750821
20750823

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-sulfonamide, N,N-diethyl-3a,4,5,9b-tetrahydro-4-(3-pyridinyl)- 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)	2.99	6.35	-12.08	1	5	0	62	383.517	5	↓ MOL2 SDF SMILES Flexibase

14547299

Analogs

14547296
14547297

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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)	2.08	4.85	-12.32	1	6	0	72	397.5	3	↓ MOL2 SDF SMILES Flexibase

14547298

Analogs

14547299
14547296
14547297

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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)	2.08	5.57	-12.01	1	6	0	72	397.5	3	↓ MOL2 SDF SMILES Flexibase

14547297

Analogs

14547298
14547299
14547296

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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)	2.08	5.03	-13.46	1	6	0	72	397.5	3	↓ MOL2 SDF SMILES Flexibase

14547296

Analogs

14547297
14547298
14547299

Draw Identity 99% 90% 80% 70%

Popular Name: morpholine, 4-[[3a,4,5,9b-tetrahydro-4-(3-pyridinyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- morpholine, 4-[[3a,4,5,9b-tetrah…

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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)	2.08	4.18	-12.65	1	6	0	72	397.5	3	↓ MOL2 SDF SMILES Flexibase

14545819

Analogs

20748951
20748953
14545816
14545817

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-N-(3-methoxypropyl)- 3H-cyclopenta[c]quinoline-8-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)	3.99	8.45	-10.79	2	5	0	60	406.526	8	↓ MOL2 SDF SMILES Flexibase

14545818

Analogs

14545819
20748951
20748953
14545816
14545817

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-N-(3-methoxypropyl)- 3H-cyclopenta[c]quinoline-8-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)	3.99	9.15	-10.86	2	5	0	60	406.526	8	↓ MOL2 SDF SMILES Flexibase

14545817

Analogs

14545818
14545819
20748951
20748953
14545816

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-N-(3-methoxypropyl)- 3H-cyclopenta[c]quinoline-8-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)	3.99	8.68	-11.16	2	5	0	60	406.526	8	↓ MOL2 SDF SMILES Flexibase

14545816

Analogs

14545817
14545818
14545819
20748951
20748953

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-N-(3-methoxypropyl)- 3H-cyclopenta[c]quinoline-8-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)	3.99	8.02	-10.09	2	5	0	60	406.526	8	↓ MOL2 SDF SMILES Flexibase

14545815

Analogs

20720958
20720963
20748899
20748901
20748947

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N-[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- propanamide, N-[4-(2-ethoxypheny…

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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)	4.60	9.93	-9.72	2	4	0	50	362.473	5	↓ MOL2 SDF SMILES Flexibase

14545814

Analogs

14545815
20720958
20720963
20748899
20748901

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N-[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- propanamide, N-[4-(2-ethoxypheny…

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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)	4.60	9.87	-10.06	2	4	0	50	362.473	5	↓ MOL2 SDF SMILES Flexibase

14545813

Analogs

14545814
14545815
20748899
20748901
20748949

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N-[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- propanamide, N-[4-(2-ethoxypheny…

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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)	4.60	9.2	-9.48	2	4	0	50	362.473	5	↓ MOL2 SDF SMILES Flexibase

14545812

Analogs

14545814
14545815
20748899
20748901
20748949

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, N-[4-(2-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]- propanamide, N-[4-(2-ethoxypheny…

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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)	4.60	8.77	-8.77	2	4	0	50	362.473	5	↓ MOL2 SDF SMILES Flexibase

14544131

Analogs

20718709
20718712
14544128
14544129

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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)	5.04	10.19	-11.87	1	5	0	59	460.599	4	↓ MOL2 SDF SMILES Flexibase

14544130

Analogs

14544131
20718709
20718712
14544128
14544129

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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)	5.04	10.78	-11.62	1	5	0	59	460.599	4	↓ MOL2 SDF SMILES Flexibase

14544129

Analogs

14544130
14544131
20718709
20718712
14544128

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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)	5.04	10.53	-11.37	1	5	0	59	460.599	4	↓ MOL2 SDF SMILES Flexibase

14544128

Analogs

14544129
14544130
14544131
20718709
20718712

Draw Identity 99% 90% 80% 70%

Popular Name: pyrrolidine, 1-[[3a,4,5,9b-tetrahydro-4-(2-methoxy-1-naphthalenyl)-3H-cyclopenta[c]quinolin-8-yl]sulfonyl]- pyrrolidine, 1-[[3a,4,5,9b-tetra…

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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)	5.04	8.66	-11.42	1	5	0	59	460.599	4	↓ MOL2 SDF SMILES Flexibase

14543770

Analogs

20718157
20718161
14543765
14543767

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine, 1-[[4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]hexahydro- 1H-azepine, 1-[[4-(4-ethoxypheny…

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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)	4.97	12.28	-12.8	1	4	0	42	416.565	4	↓ MOL2 SDF SMILES Flexibase

14543769

Analogs

14543770
20718157
20718161
14543765
14543767

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine, 1-[[4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]hexahydro- 1H-azepine, 1-[[4-(4-ethoxypheny…

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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)	4.97	12.77	-11.28	1	4	0	42	416.565	4	↓ MOL2 SDF SMILES Flexibase

14543767

Analogs

14543769
14543770
20718157
20718161
14543765

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine, 1-[[4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]hexahydro- 1H-azepine, 1-[[4-(4-ethoxypheny…

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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)	4.97	12.59	-10.29	1	4	0	42	416.565	4	↓ MOL2 SDF SMILES Flexibase

14543765

Analogs

14543767
14543769
14543770
20718157
20718161

Draw Identity 99% 90% 80% 70%

Popular Name: 1H-azepine, 1-[[4-(4-ethoxyphenyl)-3a,4,5,9b-tetrahydro-3H-cyclopenta[c]quinolin-8-yl]carbonyl]hexahydro- 1H-azepine, 1-[[4-(4-ethoxypheny…

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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)	4.97	11.7	-12.42	1	4	0	42	416.565	4	↓ MOL2 SDF SMILES Flexibase

14479195

Analogs

20249456
20249458
20682700
20682704
20692808

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline-8-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)	2.62	5.12	-16.39	3	5	0	74	350.418	4	↓ MOL2 SDF SMILES Flexibase

14479194

Analogs

14479195
20249456
20249458
20682700
20682704

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline-8-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)	2.62	5.77	-13.84	3	5	0	74	350.418	4	↓ MOL2 SDF SMILES Flexibase

14479193

Analogs

14479194
14479195
20249456
20249458
14479192

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline-8-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)	2.62	5.25	-15.08	3	5	0	74	350.418	4	↓ MOL2 SDF SMILES Flexibase

14479192

Analogs

14479193
14479194
14479195
20249456
20249458

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxamide, 4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro- 3H-cyclopenta[c]quinoline-8-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)	2.62	4.53	-15.11	3	5	0	74	350.418	4	↓ MOL2 SDF SMILES Flexibase

14479191

Analogs

20715067
20715071
14479188
14479189

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-8-phenoxy- 3H-cyclopenta[c]quinoline, 4-(3,…

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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)	5.56	11.21	-10.1	1	4	0	40	399.49	5	↓ MOL2 SDF SMILES Flexibase

14479190

Analogs

14479191
20692802
20692805
20715067
20715071

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-8-phenoxy- 3H-cyclopenta[c]quinoline, 4-(3,…

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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)	5.56	11.89	-8.96	1	4	0	40	399.49	5	↓ MOL2 SDF SMILES Flexibase

14479189

Analogs

14479190
14479191
20692802
20692805
20715067

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-8-phenoxy- 3H-cyclopenta[c]quinoline, 4-(3,…

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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)	5.56	11.62	-8.63	1	4	0	40	399.49	5	↓ MOL2 SDF SMILES Flexibase

14479188

Analogs

14479189
14479190
14479191
20692802
20692805

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 4-(3,4-dimethoxyphenyl)-3a,4,5,9b-tetrahydro-8-phenoxy- 3H-cyclopenta[c]quinoline, 4-(3,…

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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)	5.56	10.66	-9.78	1	4	0	40	399.49	5	↓ MOL2 SDF SMILES Flexibase

7080175

Analogs

7073150

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-naphthyl)thiazol-2-yl]-2-(4-sec-butylphenoxy)-acetamide N-[4-(2-naphthyl)thiazol-2-yl]-2…

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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)	6.56	13.96	-14.37	1	4	0	51	416.546	7	↓ MOL2 SDF SMILES Flexibase

7073150

Analogs

7080175

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-naphthyl)thiazol-2-yl]-2-(4-sec-butylphenoxy)-acetamide N-[4-(2-naphthyl)thiazol-2-yl]-2…

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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)	6.56	13.96	-14.38	1	4	0	51	416.546	7	↓ MOL2 SDF SMILES Flexibase

17091298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-(3,5-dibromo-2-methoxy-phenyl)-N-thiazol-2-yl-prop-2-enamide (E)-3-(3,5-dibromo-2-methoxy-phe…

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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)	3.87	7.09	-13.46	1	4	0	51	418.11	4	↓ MOL2 SDF SMILES Flexibase

17091158

Analogs

66198453

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-benzamido-3-methyl-phenyl)carbamothioyl]-3,5-dimethyl-benzamide N-[(4-benzamido-3-methyl-phenyl)…

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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)	4.47	11.74	-22.7	3	5	0	70	417.534	6	↓ MOL2 SDF SMILES Flexibase

6844796

Analogs

9971063
9971065

Draw Identity 99% 90% 80% 70%

Popular Name: (3-ethoxy-4-hydroxy-phenyl)-phenyl-BLAHdione (3-ethoxy-4-hydroxy-phenyl)-phen…

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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)	3.26	7.11	-16.77	3	7	0	97	417.465	4	↓ MOL2 SDF SMILES Flexibase

6844784

Analogs

9971063
9971065

Draw Identity 99% 90% 80% 70%

Popular Name: (3-ethoxy-4-hydroxy-phenyl)-phenyl-BLAHdione (3-ethoxy-4-hydroxy-phenyl)-phen…

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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)	3.26	7.12	-17.51	3	7	0	97	417.465	4	↓ MOL2 SDF SMILES Flexibase

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catalog.name = akos-v
filter.purchasability = purchasable

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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  WHERE c.free = 1 AND c.short_name LIKE 'akos-v' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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