ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

11813434

Analogs

11813436

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-2-[(2S)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N-[(3-chlorophenyl)methyl]-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)	3.78	-2.66	-49.08	3	6	1	72	416.929	8	↓ MOL2 SDF SMILES Flexibase

11813436

Analogs

11813434

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-2-[(2R)-1-[(4-ethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N-[(3-chlorophenyl)methyl]-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)	3.78	-2.76	-47.6	3	6	1	72	416.929	8	↓ MOL2 SDF SMILES Flexibase

11813580

Analogs

11813581

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethylphenyl)methyl]-2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-meth N-[(4-ethylphenyl)methyl]-2-[(2R…

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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	0.59	-43.48	2	6	1	63	428.528	8	↓ MOL2 SDF SMILES Flexibase

11813581

Analogs

11813580

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethylphenyl)methyl]-2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-meth N-[(4-ethylphenyl)methyl]-2-[(2S…

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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	0.57	-38.25	2	6	1	63	428.528	8	↓ MOL2 SDF SMILES Flexibase

11815507

Analogs

11815510

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(2S)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N-[(3,5-dimethoxyphenyl)methyl]-…

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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)	3.12	-1.95	-46.64	3	8	1	90	442.536	10	↓ MOL2 SDF SMILES Flexibase

11815510

Analogs

11815507

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,5-dimethoxyphenyl)methyl]-2-[(2R)-1-[(2-ethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N-[(3,5-dimethoxyphenyl)methyl]-…

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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)	3.12	-2.32	-39.2	3	8	1	90	442.536	10	↓ MOL2 SDF SMILES Flexibase

11817736

Analogs

11817737
55341009
55341012

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-methyl-N-(p-tolylmethyl)acetamide 2-[(2S)-1-[(2-fluorophenyl)methy…

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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)	3.50	0.56	-41.53	2	5	1	54	384.475	6	↓ MOL2 SDF SMILES Flexibase

11817737

Analogs

55341009
55341012
11817736

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-methyl-N-(p-tolylmethyl)acetamide 2-[(2R)-1-[(2-fluorophenyl)methy…

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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)	3.50	0.5	-42.33	2	5	1	54	384.475	6	↓ MOL2 SDF SMILES Flexibase

11817991

Analogs

11817992

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethylphenyl)methyl]-2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-2-yl]-N- N-[(4-ethylphenyl)methyl]-2-[(2S…

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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)	4.66	0.57	-43.09	2	6	1	63	438.592	8	↓ MOL2 SDF SMILES Flexibase

11817992

Analogs

11817991

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethylphenyl)methyl]-2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-2-yl]-N- N-[(4-ethylphenyl)methyl]-2-[(2R…

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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)	4.66	0.55	-46.11	2	6	1	63	438.592	8	↓ MOL2 SDF SMILES Flexibase

11818719

Analogs

11818720

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[(2S)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-2-y N-[(2,4-difluorophenyl)methyl]-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)	3.76	-0.5	-44.8	3	6	1	72	432.491	7	↓ MOL2 SDF SMILES Flexibase

11818720

Analogs

11818719

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[(2R)-1-[(4-methoxy-2,3-dimethyl-phenyl)methyl]-3-oxo-piperazin-2-y N-[(2,4-difluorophenyl)methyl]-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)	3.76	-0.71	-44.6	3	6	1	72	432.491	7	↓ MOL2 SDF SMILES Flexibase

11842944

Analogs

11842945

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide 2-[(2S)-1-[(2,3-dimethoxyphenyl)…

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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)	2.68	-1.17	-45.72	3	7	1	81	416.473	8	↓ MOL2 SDF SMILES Flexibase

11842945

Analogs

11842944

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(4-fluorophenyl)methyl]acetamide 2-[(2R)-1-[(2,3-dimethoxyphenyl)…

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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)	2.68	-1.21	-44.29	3	7	1	81	416.473	8	↓ MOL2 SDF SMILES Flexibase

11843070

Analogs

11843071

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(5-fluoro-2-methyl-phenyl)methyl]ac 2-[(2R)-1-[(2,4-dimethoxyphenyl)…

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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)	3.28	-1.1	-43.34	3	7	1	81	430.5	8	↓ MOL2 SDF SMILES Flexibase

11843071

Analogs

11843070

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2,4-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(5-fluoro-2-methyl-phenyl)methyl]ac 2-[(2S)-1-[(2,4-dimethoxyphenyl)…

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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)	3.28	-1.02	-46.02	3	7	1	81	430.5	8	↓ MOL2 SDF SMILES Flexibase

11843322

Analogs

11843323
14974381
14974384

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-methyl-N-(p-tolylmethyl)acetam 2-[(2R)-1-[(2-fluoro-4-methoxy-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)	3.54	0.44	-43.67	2	6	1	63	414.501	7	↓ MOL2 SDF SMILES Flexibase

11843323

Analogs

14974381
14974384
11843322

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2-fluoro-4-methoxy-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-methyl-N-(p-tolylmethyl)acetam 2-[(2S)-1-[(2-fluoro-4-methoxy-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)	3.54	0.42	-38.31	2	6	1	63	414.501	7	↓ MOL2 SDF SMILES Flexibase

11844229

Analogs

11844230

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[(2S)-3-oxo-1-(p-tolylmethyl)piperazin-2-yl]acetamide N-[(2-chlorophenyl)methyl]-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)	3.77	-2.47	-40.88	3	5	1	63	386.903	6	↓ MOL2 SDF SMILES Flexibase

11844230

Analogs

11844229

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[(2R)-3-oxo-1-(p-tolylmethyl)piperazin-2-yl]acetamide N-[(2-chlorophenyl)methyl]-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)	3.77	-2.47	-41.19	3	5	1	63	386.903	6	↓ MOL2 SDF SMILES Flexibase

11999654

Analogs

11999658

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2S)-1-(o-tolylmethyl)-3-oxo-piperazin-2-yl]acetamide N-[(4-fluorophenyl)methyl]-N-met…

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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)	3.50	0.44	-42.81	2	5	1	54	384.475	6	↓ MOL2 SDF SMILES Flexibase

11999658

Analogs

11999654

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-N-methyl-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-2-yl]acetamide N-[(4-fluorophenyl)methyl]-N-met…

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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)	3.50	1.05	-51.07	2	5	1	54	384.475	6	↓ MOL2 SDF SMILES Flexibase

12026887

Analogs

12026891

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-2-[(2S)-1-(o-tolylmethyl)-3-oxo-piperazin-2-yl]acetamide N-[(3-fluorophenyl)methyl]-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)	3.23	-1.61	-45.6	3	5	1	63	370.448	6	↓ MOL2 SDF SMILES Flexibase

12026891

Analogs

12026887

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-2-[(2R)-1-(o-tolylmethyl)-3-oxo-piperazin-2-yl]acetamide N-[(3-fluorophenyl)methyl]-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)	3.23	-1.75	-42.96	3	5	1	63	370.448	6	↓ MOL2 SDF SMILES Flexibase

12029457

Analogs

12029462

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]aceta 2-[(2S)-1-[(3-methoxyphenyl)meth…

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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	-0.41	-47.42	3	6	1	72	436.454	8	↓ MOL2 SDF SMILES Flexibase

12029462

Analogs

12029457

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(3-methoxyphenyl)methyl]-3-oxo-piperazin-2-yl]-N-[[3-(trifluoromethyl)phenyl]methyl]aceta 2-[(2R)-1-[(3-methoxyphenyl)meth…

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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	-0.33	-47.75	3	6	1	72	436.454	8	↓ MOL2 SDF SMILES Flexibase

12209548

Analogs

12209552
14981302
14981304
37798879
37798880

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[(2S)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N-benzyl-2-[(2S)-1-[(2,3-dimetho…

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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)	2.51	-1.98	-44.58	3	7	1	81	398.483	8	↓ MOL2 SDF SMILES Flexibase

12209552

Analogs

14981302
14981304
37798879
37798880
12209548

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[(2R)-1-[(2,3-dimethoxyphenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N-benzyl-2-[(2R)-1-[(2,3-dimetho…

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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)	2.51	-1.95	-41.49	3	7	1	81	398.483	8	↓ MOL2 SDF SMILES Flexibase

12223733

Analogs

12223738
55088285
55088288

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2,3-difluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamid 2-[(2S)-1-[(2,3-difluorophenyl)m…

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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)	2.57	-0.79	-53.85	3	7	1	81	434.463	8	↓ MOL2 SDF SMILES Flexibase

12223738

Analogs

55088285
55088288
12223733

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2R)-1-[(2,3-difluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(3,4-dimethoxyphenyl)methyl]acetamid 2-[(2R)-1-[(2,3-difluorophenyl)m…

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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)	2.57	-1.07	-47.79	3	7	1	81	434.463	8	↓ MOL2 SDF SMILES Flexibase

12227340

Analogs

12227349
55088665
55088667

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2S)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]ac 2-[(2S)-1-[(2-chloro-4-fluoro-ph…

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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)	3.28	-1.46	-46.82	3	7	1	81	450.918	8	↓ MOL2 SDF SMILES Flexibase

12227349

Analogs

55088665
55088667
12227340

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Popular Name: 2-[(2R)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]ac 2-[(2R)-1-[(2-chloro-4-fluoro-ph…

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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)	3.28	-1.59	-46.28	3	7	1	81	450.918	8	↓ MOL2 SDF SMILES Flexibase

55036018

Analogs

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Popular Name: N-[(2,6-difluorophenyl)methyl]-2-[(2S)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ace N-[(2,6-difluorophenyl)methyl]-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)	3.80	6.84	-14.22	2	5	0	61	441.4	7	↓ MOL2 SDF SMILES Flexibase

55036020

Analogs

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Popular Name: N-[(2,6-difluorophenyl)methyl]-2-[(2R)-3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]ace N-[(2,6-difluorophenyl)methyl]-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)	3.80	6.8	-17.06	2	5	0	61	441.4	7	↓ MOL2 SDF SMILES Flexibase

55036652

Analogs

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Popular Name: 2-[(2R)-1-[(2-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide 2-[(2R)-1-[(2-fluorophenyl)methy…

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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)	2.84	4.81	-12.43	2	6	0	71	385.439	7	↓ MOL2 SDF SMILES Flexibase

55036655

Analogs

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Popular Name: 2-[(2S)-1-[(2-fluorophenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(3-methoxyphenyl)methyl]acetamide 2-[(2S)-1-[(2-fluorophenyl)methy…

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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)	2.84	5.06	-14.83	2	6	0	71	385.439	7	↓ MOL2 SDF SMILES Flexibase

55042293

Analogs

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Popular Name: N-benzyl-2-[(2R)-1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N-benzyl-2-[(2R)-1-[(4-chloro-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)	3.46	6.33	-13.13	2	5	0	61	389.858	6	↓ MOL2 SDF SMILES Flexibase

55042294

Analogs

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Popular Name: N-benzyl-2-[(2S)-1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]acetamide N-benzyl-2-[(2S)-1-[(4-chloro-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)	3.46	6.32	-14.66	2	5	0	61	389.858	6	↓ MOL2 SDF SMILES Flexibase

55042532

Analogs

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Popular Name: N-methyl-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(p-tolylmethyl)acetami N-methyl-2-[(2R)-3-oxo-1-[[2-(tr…

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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)	4.24	10.71	-15.06	1	5	0	53	433.474	7	↓ MOL2 SDF SMILES Flexibase

55042533

Analogs

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Popular Name: N-methyl-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]-N-(p-tolylmethyl)acetami N-methyl-2-[(2S)-3-oxo-1-[[2-(tr…

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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)	4.24	10.7	-15.55	1	5	0	53	433.474	7	↓ MOL2 SDF SMILES Flexibase

55042639

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-2-[(2R)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetam N-[(2-methoxyphenyl)methyl]-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)	3.55	7.3	-15.67	2	6	0	71	435.446	8	↓ MOL2 SDF SMILES Flexibase

55042640

Analogs

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Popular Name: N-[(2-methoxyphenyl)methyl]-2-[(2S)-3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetam N-[(2-methoxyphenyl)methyl]-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)	3.55	7.3	-16.46	2	6	0	71	435.446	8	↓ MOL2 SDF SMILES Flexibase

55053379

Analogs

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Popular Name: 2-[(2R)-1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(p-tolylmethyl)acetamide 2-[(2R)-1-[(4-chloro-3-fluoro-ph…

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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)	3.91	7.01	-13.08	2	5	0	61	403.885	6	↓ MOL2 SDF SMILES Flexibase

55053382

Analogs

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Popular Name: 2-[(2S)-1-[(4-chloro-3-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(p-tolylmethyl)acetamide 2-[(2S)-1-[(4-chloro-3-fluoro-ph…

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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)	3.91	7	-14.64	2	5	0	61	403.885	6	↓ MOL2 SDF SMILES Flexibase

55053688

Analogs

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Popular Name: 2-[(2R)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(o-tolylmethyl)acetamide 2-[(2R)-1-[(2-chloro-4-fluoro-ph…

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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)	3.86	6.58	-11.22	2	5	0	61	403.885	6	↓ MOL2 SDF SMILES Flexibase

55053691

Analogs

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Popular Name: 2-[(2S)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-(o-tolylmethyl)acetamide 2-[(2S)-1-[(2-chloro-4-fluoro-ph…

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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)	3.86	6.72	-12.52	2	5	0	61	403.885	6	↓ MOL2 SDF SMILES Flexibase

55054102

Analogs

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Popular Name: 2-[(2R)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(4-ethylphenyl)methyl]-N-methy 2-[(2R)-1-[(2-chloro-4-fluoro-ph…

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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)	4.62	9.34	-13.06	1	5	0	53	431.939	7	↓ MOL2 SDF SMILES Flexibase

55054106

Analogs

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Popular Name: 2-[(2S)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(4-ethylphenyl)methyl]-N-methy 2-[(2S)-1-[(2-chloro-4-fluoro-ph…

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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)	4.62	8.96	-12.66	1	5	0	53	431.939	7	↓ MOL2 SDF SMILES Flexibase

55060722

Analogs

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Popular Name: 2-[(2R)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(3-methoxyphenyl)methyl]-N-met 2-[(2R)-1-[(2-chloro-4-fluoro-ph…

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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)	3.74	7.19	-16.44	1	6	0	62	433.911	7	↓ MOL2 SDF SMILES Flexibase

55060723

Analogs

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Popular Name: 2-[(2S)-1-[(2-chloro-4-fluoro-phenyl)methyl]-3-oxo-piperazin-2-yl]-N-[(3-methoxyphenyl)methyl]-N-met 2-[(2S)-1-[(2-chloro-4-fluoro-ph…

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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)	3.74	6.82	-15.16	1	6	0	62	433.911	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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