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ZINC Item

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59816732

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-phenyl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidi (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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)	2.34	5.82	-16.17	3	8	0	107	395.463	3	↓ MOL2 SDF SMILES Flexibase

59816739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-phenyl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidi (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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)	2.34	9.34	-16.74	3	8	0	107	395.463	3	↓ MOL2 SDF SMILES Flexibase

59816743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-phenyl-1,5,6,8-tetrahydropyrido[2,3-d]pyrimidi (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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)	2.34	9.46	-17.02	3	8	0	107	395.463	3	↓ MOL2 SDF SMILES Flexibase

59816748

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-N-(4-isopropylphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2 (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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)	3.85	7.75	-15.82	3	8	0	107	437.544	4	↓ MOL2 SDF SMILES Flexibase

59816753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-N-(4-isopropylphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2 (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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)	3.85	11.26	-16.52	3	8	0	107	437.544	4	↓ MOL2 SDF SMILES Flexibase

59816755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-N-(4-isopropylphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2 (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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)	3.85	11.38	-16.74	3	8	0	107	437.544	4	↓ MOL2 SDF SMILES Flexibase

59816758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-chlorophenyl)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-N-(4-chlorophenyl)-2-[(2S,6…

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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)	3.02	6.34	-15.44	3	8	0	107	429.908	3	↓ MOL2 SDF SMILES Flexibase

59816763

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-chlorophenyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-N-(4-chlorophenyl)-2-[(2S,6…

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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)	3.02	9.85	-15.9	3	8	0	107	429.908	3	↓ MOL2 SDF SMILES Flexibase

59816769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-chlorophenyl)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-N-(4-chlorophenyl)-2-[(2R,6…

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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)	3.02	9.99	-16.08	3	8	0	107	429.908	3	↓ MOL2 SDF SMILES Flexibase

59816776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-bromophenyl)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d (5R)-N-(4-bromophenyl)-2-[(2S,6R…

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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	6.44	-15.31	3	8	0	107	474.359	3	↓ MOL2 SDF SMILES Flexibase

59816781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-bromophenyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d (5R)-N-(4-bromophenyl)-2-[(2S,6S…

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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	9.97	-15.88	3	8	0	107	474.359	3	↓ MOL2 SDF SMILES Flexibase

59816786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-bromophenyl)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d (5R)-N-(4-bromophenyl)-2-[(2R,6R…

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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	10.09	-16.04	3	8	0	107	474.359	3	↓ MOL2 SDF SMILES Flexibase

59816789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-N-(4-fluorophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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)	2.50	5.89	-15.92	3	8	0	107	413.453	3	↓ MOL2 SDF SMILES Flexibase

59816796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-N-(4-fluorophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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)	2.50	9.41	-16.41	3	8	0	107	413.453	3	↓ MOL2 SDF SMILES Flexibase

59816809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-N-(4-fluorophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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)	2.50	9.54	-16.64	3	8	0	107	413.453	3	↓ MOL2 SDF SMILES Flexibase

59816816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-N-(4-isopropenylphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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)	3.07	7.7	-16.01	3	8	0	107	435.528	4	↓ MOL2 SDF SMILES Flexibase

59816820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-N-(4-isopropenylphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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)	3.07	11.22	-16.58	3	8	0	107	435.528	4	↓ MOL2 SDF SMILES Flexibase

59816827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-N-(4-isopropenylphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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)	3.07	11.35	-16.78	3	8	0	107	435.528	4	↓ MOL2 SDF SMILES Flexibase

59816831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-acetamidophenyl)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2 (5R)-N-(4-acetamidophenyl)-2-[(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)	1.56	4.72	-21.33	4	10	0	136	452.515	4	↓ MOL2 SDF SMILES Flexibase

59816837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-acetamidophenyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2 (5R)-N-(4-acetamidophenyl)-2-[(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)	1.56	8.24	-21.77	4	10	0	136	452.515	4	↓ MOL2 SDF SMILES Flexibase

59816844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(4-acetamidophenyl)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2 (5R)-N-(4-acetamidophenyl)-2-[(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)	1.56	8.36	-21.99	4	10	0	136	452.515	4	↓ MOL2 SDF SMILES Flexibase

59816848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-N-(4-nitrophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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)	2.30	6.53	-18.5	3	11	0	153	440.46	4	↓ MOL2 SDF SMILES Flexibase

59816857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-N-(4-nitrophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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)	2.30	10.05	-18.71	3	11	0	153	440.46	4	↓ MOL2 SDF SMILES Flexibase

59816861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-N-(4-nitrophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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)	2.30	10.18	-18.93	3	11	0	153	440.46	4	↓ MOL2 SDF SMILES Flexibase

59816866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-N-(4-methoxyphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3 (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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)	2.40	5.11	-17.37	3	9	0	116	425.489	4	↓ MOL2 SDF SMILES Flexibase

59816869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-N-(4-methoxyphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3 (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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)	2.40	8.63	-18.02	3	9	0	116	425.489	4	↓ MOL2 SDF SMILES Flexibase

59816873

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-N-(4-methoxyphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3 (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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)	2.40	8.76	-18.21	3	9	0	116	425.489	4	↓ MOL2 SDF SMILES Flexibase

59816887

Analogs

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Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,5,6,8-tetrahydr (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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	5.6	-15	3	9	0	116	479.459	5	↓ MOL2 SDF SMILES Flexibase

59816891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,5,6,8-tetrahydr (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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	9.13	-15.43	3	9	0	116	479.459	5	↓ MOL2 SDF SMILES Flexibase

59816895

Analogs

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Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-[4-(trifluoromethoxy)phenyl]-1,5,6,8-tetrahydr (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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	9.25	-15.61	3	9	0	116	479.459	5	↓ MOL2 SDF SMILES Flexibase

59816900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(3-chlorophenyl)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-N-(3-chlorophenyl)-2-[(2S,6…

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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)	3.00	6.34	-17.42	3	8	0	107	429.908	3	↓ MOL2 SDF SMILES Flexibase

59816904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(3-chlorophenyl)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-N-(3-chlorophenyl)-2-[(2S,6…

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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)	3.00	9.88	-17.84	3	8	0	107	429.908	3	↓ MOL2 SDF SMILES Flexibase

59816910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-N-(3-chlorophenyl)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-N-(3-chlorophenyl)-2-[(2R,6…

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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)	3.00	9.99	-18.06	3	8	0	107	429.908	3	↓ MOL2 SDF SMILES Flexibase

59816914

Analogs

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Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-N-(3-methoxyphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3 (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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)	2.37	5.12	-19.63	3	9	0	116	425.489	4	↓ MOL2 SDF SMILES Flexibase

59816919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-N-(3-methoxyphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3 (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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)	2.37	8.65	-20.17	3	9	0	116	425.489	4	↓ MOL2 SDF SMILES Flexibase

59816925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-N-(3-methoxyphenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3 (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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)	2.37	8.77	-20.41	3	9	0	116	425.489	4	↓ MOL2 SDF SMILES Flexibase

59816926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-[3-(trifluoromethyl)phenyl]-1,5,6,8-tetrahydro (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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	6.83	-14.73	3	8	0	107	463.46	4	↓ MOL2 SDF SMILES Flexibase

59816930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-[3-(trifluoromethyl)phenyl]-1,5,6,8-tetrahydro (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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	10.34	-15.24	3	8	0	107	463.46	4	↓ MOL2 SDF SMILES Flexibase

59816937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-[3-(trifluoromethyl)phenyl]-1,5,6,8-tetrahydro (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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	10.47	-15.41	3	8	0	107	463.46	4	↓ MOL2 SDF SMILES Flexibase

59816942

Analogs

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Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-N-(3-nitrophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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)	2.28	6.53	-16.43	3	11	0	153	440.46	4	↓ MOL2 SDF SMILES Flexibase

59816946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-N-(3-nitrophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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)	2.28	10.04	-16.78	3	11	0	153	440.46	4	↓ MOL2 SDF SMILES Flexibase

59816949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-N-(3-nitrophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3-d (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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)	2.28	10.18	-16.92	3	11	0	153	440.46	4	↓ MOL2 SDF SMILES Flexibase

59816955

Analogs

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Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-N-(3-fluorophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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)	2.48	5.89	-18.69	3	8	0	107	413.453	3	↓ MOL2 SDF SMILES Flexibase

59816960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-N-(3-fluorophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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)	2.48	9.42	-19.03	3	8	0	107	413.453	3	↓ MOL2 SDF SMILES Flexibase

59816965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-N-(3-fluorophenyl)-4,7-dioxo-1,5,6,8-tetrahydropyrido[2,3- (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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)	2.48	9.53	-19.26	3	8	0	107	413.453	3	↓ MOL2 SDF SMILES Flexibase

59816967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,5,6,8-tetrahydr (5R)-2-[(2S,6R)-2,6-dimethyl-1-p…

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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	5.61	-17.85	3	9	0	116	479.459	5	↓ MOL2 SDF SMILES Flexibase

59816970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,5,6,8-tetrahydr (5R)-2-[(2S,6S)-2,6-dimethyl-1-p…

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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	9.15	-18.15	3	9	0	116	479.459	5	↓ MOL2 SDF SMILES Flexibase

59816973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-4,7-dioxo-N-[3-(trifluoromethoxy)phenyl]-1,5,6,8-tetrahydr (5R)-2-[(2R,6R)-2,6-dimethyl-1-p…

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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	9.26	-18.36	3	9	0	116	479.459	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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