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ZINC Item

Suppliers, Protomers, & Similar Substances

61410873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2,3-dimethylphenyl)-1,2,3,4-t…

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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	7.9	-9.11	2	3	0	41	280.371	2	↓ MOL2 SDF SMILES Flexibase

61410876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(4-methoxyphenyl)-1,2,3,4-tetr…

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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)	3.21	5.77	-10.24	2	4	0	50	282.343	3	↓ MOL2 SDF SMILES Flexibase

61410986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2-methoxyphenyl)-1,2,3,4-tetr…

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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)	3.16	5.9	-9	2	4	0	50	282.343	3	↓ MOL2 SDF SMILES Flexibase

61411004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2,5-difluorophenyl)-1,2,3,4-t…

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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)	3.40	6.65	-8.24	2	3	0	41	288.297	2	↓ MOL2 SDF SMILES Flexibase

61411045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2,5-dimethylphenyl)-1,2,3,4-t…

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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)	3.97	8.01	-9.05	2	3	0	41	280.371	2	↓ MOL2 SDF SMILES Flexibase

61411050

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(3,4-difluorophenyl)-1,2,3,4-t…

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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)	3.40	6.6	-8.13	2	3	0	41	288.297	2	↓ MOL2 SDF SMILES Flexibase

61411069

Analogs

41578237

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-carboxamide N-ethyl-N-phenyl-1,2,3,4-tetrahy…

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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)	3.77	8.46	-9.51	1	3	0	32	280.371	3	↓ MOL2 SDF SMILES Flexibase

61411083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxyphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(3-methoxyphenyl)-1,2,3,4-tetr…

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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)	3.18	5.79	-12.12	2	4	0	50	282.343	3	↓ MOL2 SDF SMILES Flexibase

61411086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(p-tolyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(p-tolyl)-1,2,3,4-tetrahydroqu…

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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)	3.60	7.16	-9.01	2	3	0	41	266.344	2	↓ MOL2 SDF SMILES Flexibase

61411091

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluorophenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(3-fluorophenyl)-1,2,3,4-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)	3.29	6.56	-11.04	2	3	0	41	270.307	2	↓ MOL2 SDF SMILES Flexibase

61411095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(4-fluorophenyl)-1,2,3,4-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)	3.31	6.55	-8.8	2	3	0	41	270.307	2	↓ MOL2 SDF SMILES Flexibase

61411115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluorophenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2-fluorophenyl)-1,2,3,4-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)	3.26	6.61	-7.59	2	3	0	41	270.307	2	↓ MOL2 SDF SMILES Flexibase

61411168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2,4-difluorophenyl)-1,2,3,4-t…

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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)	3.40	6.65	-6.3	2	3	0	41	288.297	2	↓ MOL2 SDF SMILES Flexibase

61411176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(3,5-dimethylphenyl)-1,2,3,4-t…

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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)	3.97	7.83	-9.06	2	3	0	41	280.371	2	↓ MOL2 SDF SMILES Flexibase

61411184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-fluoro-2-methyl-phenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(5-fluoro-2-methyl-phenyl)-1,2…

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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)	3.69	7.46	-10.92	2	3	0	41	284.334	2	↓ MOL2 SDF SMILES Flexibase

61411206

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(4-ethylphenyl)-1,2,3,4-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)	4.06	7.93	-8.85	2	3	0	41	280.371	3	↓ MOL2 SDF SMILES Flexibase

61411210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-4-methyl-phenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(3-fluoro-4-methyl-phenyl)-1,2…

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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)	3.69	7.2	-11.25	2	3	0	41	284.334	2	↓ MOL2 SDF SMILES Flexibase

61411216

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2-ethylphenyl)-1,2,3,4-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)	4.01	8.16	-8.65	2	3	0	41	280.371	3	↓ MOL2 SDF SMILES Flexibase

61411239

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-2-methyl-phenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(4-fluoro-2-methyl-phenyl)-1,2…

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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)	3.69	7.45	-8.69	2	3	0	41	284.334	2	↓ MOL2 SDF SMILES Flexibase

61411242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-difluorophenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(3,5-difluorophenyl)-1,2,3,4-t…

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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)	3.40	6.63	-8.28	2	3	0	41	288.297	2	↓ MOL2 SDF SMILES Flexibase

61411248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dimethylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2,6-dimethylphenyl)-1,2,3,4-t…

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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)	3.01	8.03	-8.29	2	3	0	41	280.371	2	↓ MOL2 SDF SMILES Flexibase

61411254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(3-ethylphenyl)-1,2,3,4-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)	4.04	7.93	-8.66	2	3	0	41	280.371	3	↓ MOL2 SDF SMILES Flexibase

61411290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenyl-1,2,3,4-tetrahydroquinoline-5-carboxamide N-phenyl-1,2,3,4-tetrahydroquino…

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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)	3.15	6.49	-8.98	2	3	0	41	252.317	2	↓ MOL2 SDF SMILES Flexibase

61411428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-phenyl-1,2,3,4-tetrahydroquinoline-5-carboxamide N-methyl-N-phenyl-1,2,3,4-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)	3.39	7.52	-9.6	1	3	0	32	266.344	2	↓ MOL2 SDF SMILES Flexibase

61411530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(m-tolyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(m-tolyl)-1,2,3,4-tetrahydroqu…

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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)	3.57	7.16	-8.91	2	3	0	41	266.344	2	↓ MOL2 SDF SMILES Flexibase

61411534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2,4-dimethylphenyl)-1,2,3,4-t…

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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)	3.97	8.05	-9.13	2	3	0	41	280.371	2	↓ MOL2 SDF SMILES Flexibase

61411536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(3,4-dimethylphenyl)-1,2,3,4-t…

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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)	3.97	7.72	-9.25	2	3	0	41	280.371	2	↓ MOL2 SDF SMILES Flexibase

61411574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(o-tolyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(o-tolyl)-1,2,3,4-tetrahydroqu…

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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)	3.55	7.39	-9.04	2	3	0	41	266.344	2	↓ MOL2 SDF SMILES Flexibase

61411600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-4-methyl-phenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2-fluoro-4-methyl-phenyl)-1,2…

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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)	3.69	7.28	-7.4	2	3	0	41	284.334	2	↓ MOL2 SDF SMILES Flexibase

61411603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-fluoro-5-methyl-phenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2-fluoro-5-methyl-phenyl)-1,2…

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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)	3.69	7.27	-7.83	2	3	0	41	284.334	2	↓ MOL2 SDF SMILES Flexibase

61411607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-difluorophenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2,6-difluorophenyl)-1,2,3,4-t…

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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)	3.38	6.7	-11.7	2	3	0	41	288.297	2	↓ MOL2 SDF SMILES Flexibase

61411972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-difluorophenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2,3-difluorophenyl)-1,2,3,4-t…

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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)	3.38	6.65	-7.8	2	3	0	41	288.297	2	↓ MOL2 SDF SMILES Flexibase

61412477

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-fluoro-2-methyl-phenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(3-fluoro-2-methyl-phenyl)-1,2…

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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)	3.66	7.38	-7.78	2	3	0	41	284.334	2	↓ MOL2 SDF SMILES Flexibase

61412750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(4-fluorophenyl)-N-methyl-1,2,…

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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)	3.56	7.59	-9.13	1	3	0	32	284.334	2	↓ MOL2 SDF SMILES Flexibase

61412790

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-(o-tolyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-methyl-N-(o-tolyl)-1,2,3,4-tet…

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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)	3.79	8.88	-10.35	1	3	0	32	280.371	2	↓ MOL2 SDF SMILES Flexibase

61412793

Analogs

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Popular Name: N-methyl-N-(m-tolyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-methyl-N-(m-tolyl)-1,2,3,4-tet…

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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)	3.82	8.09	-9.49	1	3	0	32	280.371	2	↓ MOL2 SDF SMILES Flexibase

61412795

Analogs

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Popular Name: N-methyl-N-(p-tolyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-methyl-N-(p-tolyl)-1,2,3,4-tet…

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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)	3.84	8.1	-9.58	1	3	0	32	280.371	2	↓ MOL2 SDF SMILES Flexibase

61412797

Analogs

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Popular Name: N-(2-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(2-fluorophenyl)-N-methyl-1,2,…

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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)	3.51	7.97	-11.39	1	3	0	32	284.334	2	↓ MOL2 SDF SMILES Flexibase

61412799

Analogs

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Popular Name: N-(3-fluorophenyl)-N-methyl-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(3-fluorophenyl)-N-methyl-1,2,…

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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)	3.53	7.59	-7.86	1	3	0	32	284.334	2	↓ MOL2 SDF SMILES Flexibase

61413135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluoro-3-methyl-phenyl)-1,2,3,4-tetrahydroquinoline-5-carboxamide N-(4-fluoro-3-methyl-phenyl)-1,2…

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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)	3.69	7.2	-8.82	2	3	0	41	284.334	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 214461
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 = 214461 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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', {
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    });
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