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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

56852045

Analogs

25415383
25415379

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-propanamide (2S)-N-benzyl-2-[4-(2-methoxyphe…

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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	8.77	-11.85	0	5	0	36	367.493	6	↓ MOL2 SDF SMILES Flexibase

56852046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-benzyl-2-[4-(2-methoxyphenyl)piperazin-1-yl]-N-methyl-propanamide (2R)-N-benzyl-2-[4-(2-methoxyphe…

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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	-11.77	0	5	0	36	367.493	6	↓ MOL2 SDF SMILES Flexibase

57273934

Analogs

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Popular Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide 2-[4-(4-acetylphenyl)piperazin-1…

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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)	2.89	6.51	-13.9	1	6	0	62	381.476	7	↓ MOL2 SDF SMILES Flexibase

57289809

Analogs

38270744

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Popular Name: N-[(3-chlorophenyl)methyl]-2-(4-phenylpiperazin-1-yl)acetamide N-[(3-chlorophenyl)methyl]-2-(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)	3.59	7.32	-8.63	1	4	0	36	343.858	5	↓ MOL2 SDF SMILES Flexibase

57289814

Analogs

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Popular Name: N-[(1S)-1-(3-chlorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide N-[(1S)-1-(3-chlorophenyl)ethyl]…

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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)	4.15	8.15	-9.66	1	4	0	36	357.885	5	↓ MOL2 SDF SMILES Flexibase

57289817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-chlorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide N-[(1R)-1-(3-chlorophenyl)ethyl]…

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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)	4.15	8.15	-9.78	1	4	0	36	357.885	5	↓ MOL2 SDF SMILES Flexibase

57289820

Analogs

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Popular Name: N-[(1S)-1-(4-chlorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide N-[(1S)-1-(4-chlorophenyl)ethyl]…

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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)	4.17	8.16	-8.91	1	4	0	36	357.885	5	↓ MOL2 SDF SMILES Flexibase

57289822

Analogs

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Popular Name: N-[(1R)-1-(4-chlorophenyl)ethyl]-2-(4-phenylpiperazin-1-yl)acetamide N-[(1R)-1-(4-chlorophenyl)ethyl]…

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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)	4.17	8.16	-9	1	4	0	36	357.885	5	↓ MOL2 SDF SMILES Flexibase

57290096

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide 2-[4-(3-chlorophenyl)piperazin-1…

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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)	3.75	7.38	-8.65	1	4	0	36	361.848	5	↓ MOL2 SDF SMILES Flexibase

57291868

Analogs

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Popular Name: N-[(4-fluorophenyl)methyl]-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide N-[(4-fluorophenyl)methyl]-2-[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)	3.97	7.88	-10.22	1	4	0	36	395.4	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.97	10.02	-48.57	2	4	1	37	396.408	6	↓ MOL2 SDF SMILES Flexibase

57292104

Analogs

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Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide 2-[4-(3-chlorophenyl)piperazin-1…

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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)	3.65	6.61	-9.92	1	5	0	45	373.884	6	↓ MOL2 SDF SMILES Flexibase

57952706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide 2-[4-(4-acetylphenyl)piperazin-1…

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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)	2.87	6.6	-14.13	1	6	0	62	381.476	7	↓ MOL2 SDF SMILES Flexibase

60556392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide 2-[4-(4-fluorophenyl)piperazin-1…

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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)	3.67	7.09	-11.84	1	5	0	45	371.456	6	↓ MOL2 SDF SMILES Flexibase

60557354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]acetamide N-[(1R)-1-(2-methoxyphenyl)ethyl…

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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	6.33	-13.48	1	6	0	54	383.492	7	↓ MOL2 SDF SMILES Flexibase

52537700

Analogs

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Popular Name: N-benzyl-2-(4-phenylpiperazino)acetamide N-benzyl-2-(4-phenylpiperazino)a…

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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)	2.94	6.8	-8.4	1	4	0	36	309.413	5	↓ MOL2 SDF SMILES Flexibase

52537717

Analogs

Draw Identity 99% 90% 80% 70%

Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

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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)	3.10	6.86	-8.94	1	4	0	36	327.403	5	↓ MOL2 SDF SMILES Flexibase

69055898

Analogs

12534250
12534251

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-benzyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (2S)-N-benzyl-2-[4-(2-hydroxyphe…

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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	4.84	-9.15	2	5	0	56	339.439	5	↓ MOL2 SDF SMILES Flexibase

69055900

Analogs

12534250
12534251

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-benzyl-2-[4-(2-hydroxyphenyl)piperazin-1-yl]propanamide (2R)-N-benzyl-2-[4-(2-hydroxyphe…

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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	4.8	-9.96	2	5	0	56	339.439	5	↓ MOL2 SDF SMILES Flexibase

69056472

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-benzyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide (2S)-N-benzyl-2-[4-[3-(trifluoro…

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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)	3.64	8.2	-9.3	1	4	0	36	391.437	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.64	10.34	-41.08	2	4	1	37	392.445	6	↓ MOL2 SDF SMILES Flexibase

69056475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-benzyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide (2R)-N-benzyl-2-[4-[3-(trifluoro…

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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)	3.64	8.16	-8.01	1	4	0	36	391.437	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.64	10.32	-42.06	2	4	1	37	392.445	6	↓ MOL2 SDF SMILES Flexibase

69147214

Analogs

57830739

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxyphenyl)methyl]-N-methyl-2-(4-phenylpiperazin-1-yl)acetamide N-[(3-methoxyphenyl)methyl]-N-me…

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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)	2.71	8.15	-12.91	0	5	0	36	353.466	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.71	10.31	-42.88	1	5	1	37	354.474	6	↓ MOL2 SDF SMILES Flexibase

69148997

Analogs

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Popular Name: N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide N-[(1R)-1-(3,4-dimethylphenyl)et…

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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)	4.49	8.92	-9.4	1	4	0	36	369.484	5	↓ MOL2 SDF SMILES Flexibase

69148999

Analogs

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Popular Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(4-fluorophenyl)piperazin-1-yl]acetamide N-[(1S)-1-(3,4-dimethylphenyl)et…

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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)	4.49	8.93	-9.41	1	4	0	36	369.484	5	↓ MOL2 SDF SMILES Flexibase

69149349

Analogs

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Popular Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide 2-[4-(2-chlorophenyl)piperazin-1…

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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)	4.95	10.04	-9.37	1	4	0	36	385.939	5	↓ MOL2 SDF SMILES Flexibase

69149353

Analogs

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Popular Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide 2-[4-(2-chlorophenyl)piperazin-1…

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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)	4.95	10.04	-9.33	1	4	0	36	385.939	5	↓ MOL2 SDF SMILES Flexibase

69149531

Analogs

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Popular Name: N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide N-[(1R)-1-(3,4-dimethylphenyl)et…

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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)	4.05	6.51	-9.96	2	5	0	56	367.493	5	↓ MOL2 SDF SMILES Flexibase

69149535

Analogs

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Popular Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]acetamide N-[(1S)-1-(3,4-dimethylphenyl)et…

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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)	4.05	6.51	-9.89	2	5	0	56	367.493	5	↓ MOL2 SDF SMILES Flexibase

69149668

Analogs

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Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(3-methoxyphenyl)methyl]-N-methyl-acetamide 2-[4-(3-chlorophenyl)piperazin-1…

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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)	3.37	8.66	-13.24	0	5	0	36	387.911	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.37	10.82	-44.24	1	5	1	37	388.919	6	↓ MOL2 SDF SMILES Flexibase

69149700

Analogs

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Popular Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide N-[(1S)-1-(2-chlorophenyl)ethyl]…

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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)	4.78	8.63	-11.09	1	4	0	36	392.33	5	↓ MOL2 SDF SMILES Flexibase

69149703

Analogs

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Popular Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide N-[(1R)-1-(2-chlorophenyl)ethyl]…

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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)	4.78	8.58	-11.06	1	4	0	36	392.33	5	↓ MOL2 SDF SMILES Flexibase

69149720

Analogs

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Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]acetamide 2-[4-(3-chlorophenyl)piperazin-1…

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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)	4.98	9.37	-9.28	1	4	0	36	385.939	5	↓ MOL2 SDF SMILES Flexibase

69149723

Analogs

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Popular Name: 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-[(1S)-1-(3,4-dimethylphenyl)ethyl]acetamide 2-[4-(3-chlorophenyl)piperazin-1…

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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)	4.98	9.37	-9.45	1	4	0	36	385.939	5	↓ MOL2 SDF SMILES Flexibase

69149752

Analogs

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Popular Name: N-[(3-chlorophenyl)methyl]-2-[4-(3-chlorophenyl)piperazin-1-yl]acetamide N-[(3-chlorophenyl)methyl]-2-[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)	4.25	7.82	-8.98	1	4	0	36	378.303	5	↓ MOL2 SDF SMILES Flexibase

69150492

Analogs

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Popular Name: N-[(3-methoxyphenyl)methyl]-N-methyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]acetamide N-[(3-methoxyphenyl)methyl]-N-me…

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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)	3.58	9.16	-12.79	0	5	0	36	421.463	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.58	11.32	-45.44	1	5	1	37	422.471	7	↓ MOL2 SDF SMILES Flexibase

69150622

Analogs

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Popular Name: N-[(1S)-1-(2-chlorophenyl)ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide N-[(1S)-1-(2-chlorophenyl)ethyl]…

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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)	4.93	10.01	-10.31	1	4	0	36	385.939	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.93	10.01	-35.3	2	4	1	37	386.947	5	↓ MOL2 SDF SMILES Flexibase

69150623

Analogs

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Popular Name: N-[(1R)-1-(2-chlorophenyl)ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide N-[(1R)-1-(2-chlorophenyl)ethyl]…

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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)	4.93	9.96	-10.2	1	4	0	36	385.939	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.93	9.99	-35.08	2	4	1	37	386.947	5	↓ MOL2 SDF SMILES Flexibase

69150636

Analogs

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Popular Name: N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide N-[(1S)-1-(3,4-dimethylphenyl)et…

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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)	5.12	10.73	-8.55	1	4	0	36	379.548	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.12	10.76	-33.44	2	4	1	37	380.556	5	↓ MOL2 SDF SMILES Flexibase

69150638

Analogs

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Popular Name: N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetamide N-[(1R)-1-(3,4-dimethylphenyl)et…

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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)	5.12	10.73	-8.48	1	4	0	36	379.548	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.12	10.76	-33.19	2	4	1	37	380.556	5	↓ MOL2 SDF SMILES Flexibase

69161435

Analogs

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Popular Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide 2-[4-(4-acetylphenyl)piperazin-1…

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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	7.35	-13.4	1	5	0	53	369.44	6	↓ MOL2 SDF SMILES Flexibase

66861641

Analogs

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Popular Name: 2-[4-(4-hydroxyphenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide 2-[4-(4-hydroxyphenyl)piperazin-…

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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)	2.26	5.29	-12.06	1	6	0	56	369.465	6	↓ MOL2 SDF SMILES Flexibase

66861903

Analogs

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Popular Name: 2-[4-(2-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide 2-[4-(2-fluorophenyl)piperazin-1…

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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)	2.85	8.66	-11.05	0	5	0	36	371.456	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.85	10.82	-38.49	1	5	1	37	372.464	6	↓ MOL2 SDF SMILES Flexibase

66862268

Analogs

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Popular Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide 2-[4-(4-fluorophenyl)piperazin-1…

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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)	2.90	8.21	-11.08	0	5	0	36	371.456	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.90	10.38	-47.18	1	5	1	37	372.464	6	↓ MOL2 SDF SMILES Flexibase

66862483

Analogs

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Popular Name: 2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide 2-[4-(2-hydroxyphenyl)piperazin-…

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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)	2.47	5.8	-10.98	1	6	0	56	369.465	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.47	7.97	-40.44	2	6	1	57	370.473	6	↓ MOL2 SDF SMILES Flexibase

66862498

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-methyl-acetamide N-[(2-fluorophenyl)methyl]-2-[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)	2.53	6.53	-13.42	1	5	0	47	357.429	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.53	8.69	-40.71	2	5	1	48	358.437	5	↓ MOL2 SDF SMILES Flexibase

66862916

Analogs

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Popular Name: 2-[4-(2-chlorophenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide 2-[4-(2-chlorophenyl)piperazin-1…

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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)	3.37	9.27	-9.85	0	5	0	36	387.911	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.37	11.44	-37.81	1	5	1	37	388.919	6	↓ MOL2 SDF SMILES Flexibase

66863571

Analogs

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Popular Name: 2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide 2-[4-(2,3-dimethylphenyl)piperaz…

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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	10.04	-10.91	0	5	0	36	381.52	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.54	10.07	-34.13	1	5	1	37	382.528	6	↓ MOL2 SDF SMILES Flexibase

66863791

Analogs

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Popular Name: 2-[4-(4-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide 2-[4-(4-methoxyphenyl)piperazin-…

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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)	3.17	9.16	-11.24	0	5	0	36	399.56	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.17	11.33	-45.44	1	5	1	37	400.568	7	↓ MOL2 SDF SMILES Flexibase

66865152

Analogs

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Popular Name: N-[(4-methoxyphenyl)methyl]-2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-acetamide N-[(4-methoxyphenyl)methyl]-2-[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)	2.77	7.45	-12.79	0	6	0	45	383.492	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.77	9.61	-45.42	1	6	1	46	384.5	7	↓ MOL2 SDF SMILES Flexibase

66865183

Analogs

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Popular Name: 2-[4-(3-methoxyphenyl)piperazin-1-yl]-N-methyl-N-[(4-methylsulfanylphenyl)methyl]acetamide 2-[4-(3-methoxyphenyl)piperazin-…

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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	9.18	-12.21	0	5	0	36	399.56	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.15	11.33	-45.24	1	5	1	37	400.568	7	↓ MOL2 SDF SMILES Flexibase

69578389

Analogs

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Popular Name: 2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide 2-[4-(4-fluorophenyl)piperazin-1…

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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)	3.67	7.12	-11.87	1	5	0	45	371.456	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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