ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

14548490

Analogs

14548491
14548492
14548493

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 7,9-dichloro-3a,4,5,9b-tetrahydro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 7,9-d…

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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)	5.34	8.83	-4	1	1	0	12	322.26	1	↓ MOL2 SDF SMILES Flexibase

14548491

Analogs

14548492
14548493
14548490

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 7,9-dichloro-3a,4,5,9b-tetrahydro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 7,9-d…

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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)	5.34	9.4	-4.36	1	1	0	12	322.26	1	↓ MOL2 SDF SMILES Flexibase

14548492

Analogs

14548493
14548490
14548491

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 7,9-dichloro-3a,4,5,9b-tetrahydro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 7,9-d…

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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)	5.34	9.53	-2.8	1	1	0	12	322.26	1	↓ MOL2 SDF SMILES Flexibase

14548493

Analogs

14548490
14548491
14548492

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 7,9-dichloro-3a,4,5,9b-tetrahydro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 7,9-d…

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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)	5.34	9.19	-4.56	1	1	0	12	322.26	1	↓ MOL2 SDF SMILES Flexibase

14548494

Analogs

14548495
14548496
14548497

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.46	10.06	-7.89	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548495

Analogs

14548496
14548497
14548494

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.46	9.53	-9.2	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548496

Analogs

14548497
14548494
14548495

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.46	8.74	-8.69	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548497

Analogs

14548494
14548495
14548496

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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)	3.46	9.57	-7.19	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548498

Analogs

14548499
14548500
14548501

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-7,9-dimethyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	4.88	9.82	-3.83	1	1	0	12	281.424	1	↓ MOL2 SDF SMILES Flexibase

14548499

Analogs

14548500
14548501
14548498

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-7,9-dimethyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	4.88	9.47	-4.68	1	1	0	12	281.424	1	↓ MOL2 SDF SMILES Flexibase

14548500

Analogs

14548501
14548498
14548499

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-7,9-dimethyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	4.88	9.03	-3.83	1	1	0	12	281.424	1	↓ MOL2 SDF SMILES Flexibase

14548501

Analogs

14548498
14548499
14548500

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-7,9-dimethyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	4.88	9.8	-3.25	1	1	0	12	281.424	1	↓ MOL2 SDF SMILES Flexibase

14548502

Analogs

14548503
14548504
14548505

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6,9-dimethyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.95	8.79	-3	1	1	0	12	281.424	1	↓ MOL2 SDF SMILES Flexibase

14548503

Analogs

14548504
14548505
14548502

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6,9-dimethyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.95	9.32	-3.89	1	1	0	12	281.424	1	↓ MOL2 SDF SMILES Flexibase

14548504

Analogs

14548505
14548502
14548503

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6,9-dimethyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.95	9.85	-3.88	1	1	0	12	281.424	1	↓ MOL2 SDF SMILES Flexibase

14548505

Analogs

14548502
14548503
14548504

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6,9-dimethyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.95	9.65	-3.3	1	1	0	12	281.424	1	↓ MOL2 SDF SMILES Flexibase

14548506

Analogs

14548507
14548508
14548509

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxylic acid, 3a,4,5,9b-tetrahydro-4-(2-thienyl)-, ethyl ester 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)	4.60	9.51	-8.47	1	3	0	38	325.433	4	↓ MOL2 SDF SMILES Flexibase

14548507

Analogs

14548508
14548509
14548506

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxylic acid, 3a,4,5,9b-tetrahydro-4-(2-thienyl)-, ethyl ester 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)	4.60	9.98	-9.18	1	3	0	38	325.433	4	↓ MOL2 SDF SMILES Flexibase

14548508

Analogs

14548509
14548506
14548507

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxylic acid, 3a,4,5,9b-tetrahydro-4-(2-thienyl)-, ethyl ester 3H-cyclopenta[c]quinoline-8-carb…

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)	4.60	10.33	-7.07	1	3	0	38	325.433	4	↓ MOL2 SDF SMILES Flexibase

14548509

Analogs

14548506
14548507
14548508

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxylic acid, 3a,4,5,9b-tetrahydro-4-(2-thienyl)-, ethyl ester 3H-cyclopenta[c]quinoline-8-carb…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.60	10.21	-6.29	1	3	0	38	325.433	4	↓ MOL2 SDF SMILES Flexibase

14548510

Analogs

14548511
14548512
14548513

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methoxy-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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)	4.00	8.66	-7.9	1	5	0	67	328.393	3	↓ MOL2 SDF SMILES Flexibase

14548511

Analogs

14548512
14548513
14548510

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methoxy-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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)	4.00	8.08	-8.96	1	5	0	67	328.393	3	↓ MOL2 SDF SMILES Flexibase

14548512

Analogs

14548513
14548510
14548511

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methoxy-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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)	4.00	7.33	-8.19	1	5	0	67	328.393	3	↓ MOL2 SDF SMILES Flexibase

14548513

Analogs

14548510
14548511
14548512

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methoxy-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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)	4.00	8.17	-7.12	1	5	0	67	328.393	3	↓ MOL2 SDF SMILES Flexibase

14548514

Analogs

14548515
14548516
14548517

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-7-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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)	3.46	10.08	-6.24	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548515

Analogs

14548516
14548517
14548514

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-7-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	9.51	-7.82	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548516

Analogs

14548517
14548514
14548515

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-7-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.46	8.87	-6.53	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548517

Analogs

14548514
14548515
14548516

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-7-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.46	9.61	-6.77	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548518

Analogs

14548519
14548520
14548521

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-8-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.46	10.14	-6.1	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548519

Analogs

14548520
14548521
14548518

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-8-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	9.51	-7.86	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548520

Analogs

14548521
14548518
14548519

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-8-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.46	9.01	-7.69	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548521

Analogs

14548518
14548519
14548520

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6-methyl-8-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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)	3.46	10.04	-5.42	1	4	0	58	312.394	2	↓ MOL2 SDF SMILES Flexibase

14548522

Analogs

14548523
14548524
14548525

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxylic acid, 3a,4,5,9b-tetrahydro-4-(2-thienyl)-, propyl ester 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)	5.11	10.3	-8.23	1	3	0	38	339.46	5	↓ MOL2 SDF SMILES Flexibase

14548523

Analogs

14548524
14548525
14548522

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxylic acid, 3a,4,5,9b-tetrahydro-4-(2-thienyl)-, propyl ester 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)	5.11	10.7	-8.99	1	3	0	38	339.46	5	↓ MOL2 SDF SMILES Flexibase

14548524

Analogs

14548525
14548522
14548523

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxylic acid, 3a,4,5,9b-tetrahydro-4-(2-thienyl)-, propyl ester 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)	5.11	11.11	-6.87	1	3	0	38	339.46	5	↓ MOL2 SDF SMILES Flexibase

14548525

Analogs

14548522
14548524
14548523

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline-8-carboxylic acid, 3a,4,5,9b-tetrahydro-4-(2-thienyl)-, propyl ester 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)	5.11	10.98	-8.6	1	3	0	38	339.46	5	↓ MOL2 SDF SMILES Flexibase

14548526

Analogs

14548527
14548528
14548529

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 7-chloro-3a,4,5,9b-tetrahydro-6-methyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 7-chl…

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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)	4.18	9.98	-3.08	1	1	0	12	301.842	1	↓ MOL2 SDF SMILES Flexibase

14548527

Analogs

14548528
14548529
14548526

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 7-chloro-3a,4,5,9b-tetrahydro-6-methyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 7-chl…

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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)	4.18	9.38	-4.51	1	1	0	12	301.842	1	↓ MOL2 SDF SMILES Flexibase

14548528

Analogs

14548529
14548526
14548527

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 7-chloro-3a,4,5,9b-tetrahydro-6-methyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 7-chl…

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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)	4.18	8.98	-3.81	1	1	0	12	301.842	1	↓ MOL2 SDF SMILES Flexibase

14548529

Analogs

14548526
14548527
14548528

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 7-chloro-3a,4,5,9b-tetrahydro-6-methyl-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 7-chl…

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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)	4.18	9.68	-2.97	1	1	0	12	301.842	1	↓ MOL2 SDF SMILES Flexibase

14548530

Analogs

14548531
14548532
14548533

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-6-ol, 3a,4,5,9b-tetrahydro-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinolin-6-ol, 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)	3.72	5.63	-14.42	2	5	0	78	314.366	2	↓ MOL2 SDF SMILES Flexibase

14548531

Analogs

14548532
14548533
14548530

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-6-ol, 3a,4,5,9b-tetrahydro-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinolin-6-ol, 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)	3.72	6.74	-9.27	2	5	0	78	314.366	2	↓ MOL2 SDF SMILES Flexibase

14548532

Analogs

14548533
14548530
14548531

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-6-ol, 3a,4,5,9b-tetrahydro-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinolin-6-ol, 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)	3.72	6.94	-9.95	2	5	0	78	314.366	2	↓ MOL2 SDF SMILES Flexibase

14548533

Analogs

14548530
14548531
14548532

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-6-ol, 3a,4,5,9b-tetrahydro-9-nitro-4-(2-thienyl)- 3H-cyclopenta[c]quinolin-6-ol, 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)	3.72	6.24	-9.71	2	5	0	78	314.366	2	↓ MOL2 SDF SMILES Flexibase

14548534

Analogs

14548535
14548536
14548537

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6,9-dimethoxy-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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	6.37	-5.48	1	3	0	30	313.422	3	↓ MOL2 SDF SMILES Flexibase

14548535

Analogs

14548536
14548537
14548534

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6,9-dimethoxy-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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	7.02	-6.33	1	3	0	30	313.422	3	↓ MOL2 SDF SMILES Flexibase

14548536

Analogs

14548537
14548534
14548535

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6,9-dimethoxy-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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	7.54	-5.95	1	3	0	30	313.422	3	↓ MOL2 SDF SMILES Flexibase

14548537

Analogs

14548534
14548535
14548536

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinoline, 3a,4,5,9b-tetrahydro-6,9-dimethoxy-4-(2-thienyl)- 3H-cyclopenta[c]quinoline, 3a,4,…

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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	7.19	-5.59	1	3	0	30	313.422	3	↓ MOL2 SDF SMILES Flexibase

14548538

Analogs

14548539
14548540
14548541

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-6-ol, 3a,4,5,9b-tetrahydro-9-methyl-4-(2-thienyl)- 3H-cyclopenta[c]quinolin-6-ol, 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)	4.21	5.28	-4.2	2	2	0	32	283.396	1	↓ MOL2 SDF SMILES Flexibase

14548539

Analogs

14548540
14548541
14548538

Draw Identity 99% 90% 80% 70%

Popular Name: 3H-cyclopenta[c]quinolin-6-ol, 3a,4,5,9b-tetrahydro-9-methyl-4-(2-thienyl)- 3H-cyclopenta[c]quinolin-6-ol, 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)	4.21	5.75	-4.9	2	2	0	32	283.396	1	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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