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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

14559558

Analogs

14559561

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-[2-(1-methylpropyl)phenoxy]-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- acetamide, 2-[2-(1-methylpropyl)…

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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)	3.48	10.61	-25.63	1	5	0	59	380.488	7	↓ MOL2 SDF SMILES Flexibase

14559561

Analogs

14559558

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-[2-(1-methylpropyl)phenoxy]-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- acetamide, 2-[2-(1-methylpropyl)…

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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)	3.48	10.61	-25.65	1	5	0	59	380.488	7	↓ MOL2 SDF SMILES Flexibase

14559656

Analogs

33779281
735360
741959
741960

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-(4-chlorophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- acetamide, 2-(4-chlorophenoxy)-N…

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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)	2.82	8.51	-16.37	1	5	0	59	358.825	5	↓ MOL2 SDF SMILES Flexibase

14559665

Analogs

742117

Draw Identity 99% 90% 80% 70%

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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)	2.59	8.66	-16.61	1	5	0	59	338.407	5	↓ MOL2 SDF SMILES Flexibase

14559690

Analogs

14559693

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2,4-dichlorophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2,4-dichlorophen…

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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	9.64	-27.23	1	5	0	59	407.297	5	↓ MOL2 SDF SMILES Flexibase

14559693

Analogs

14559690

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2,4-dichlorophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2,4-dichlorophen…

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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	9.62	-27.3	1	5	0	59	407.297	5	↓ MOL2 SDF SMILES Flexibase

14559801

Analogs

14559804

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(4-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-methylphenoxy)…

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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)	2.96	9.37	-25.95	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

14559804

Analogs

14559801

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(4-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-methylphenoxy)…

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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)	2.96	9.28	-26.11	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

14559810

Analogs

14559813

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(3-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(3-methylphenoxy)…

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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)	2.93	9.28	-26.26	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

14559813

Analogs

14559810

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(3-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(3-methylphenoxy)…

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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)	2.93	9.27	-26.35	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

14559815

Analogs

14559819
14560026
14560029

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2-methylphenoxy)…

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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)	2.91	9.32	-25.61	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

14559819

Analogs

14560026
14560029
14559815

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2-methylphenoxy)…

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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)	2.91	9.31	-25.72	1	5	0	59	352.434	5	↓ MOL2 SDF SMILES Flexibase

14559823

Analogs

14559826

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, 2-(2-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- butanamide, 2-(2-methylphenoxy)-…

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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)	3.41	9.93	-25.47	1	5	0	59	366.461	6	↓ MOL2 SDF SMILES Flexibase

14559826

Analogs

14559823

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, 2-(2-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- butanamide, 2-(2-methylphenoxy)-…

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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)	3.41	9.94	-25.49	1	5	0	59	366.461	6	↓ MOL2 SDF SMILES Flexibase

14559833

Analogs

14559836
14559842
14559845

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-phenoxy-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-phenoxy-N-[3-(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)	2.51	8.69	-25.97	1	5	0	59	338.407	5	↓ MOL2 SDF SMILES Flexibase

14559836

Analogs

14559842
14559845
14559833

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-phenoxy-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-phenoxy-N-[3-(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)	2.51	8.54	-26.18	1	5	0	59	338.407	5	↓ MOL2 SDF SMILES Flexibase

14559842

Analogs

14559845
14559833
14559836

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(4-methoxyphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-methoxyphenoxy…

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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)	2.56	7.98	-26.42	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

14559845

Analogs

14559833
14559836
14559842

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(4-methoxyphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-methoxyphenoxy…

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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)	2.56	7.89	-26.58	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

14559849

Analogs

14559852

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-methoxyphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2-methoxyphenoxy…

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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)	2.12	8.35	-30.23	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

14559852

Analogs

14559849

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-methoxyphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2-methoxyphenoxy…

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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)	2.12	8.35	-30.11	1	6	0	68	368.433	6	↓ MOL2 SDF SMILES Flexibase

14559855

Analogs

14559858
742120

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(4-chlorophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-chlorophenoxy)…

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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	9.2	-25.03	1	5	0	59	372.852	5	↓ MOL2 SDF SMILES Flexibase

14559858

Analogs

742120
14559855

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(4-chlorophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-chlorophenoxy)…

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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	9.13	-25.14	1	5	0	59	372.852	5	↓ MOL2 SDF SMILES Flexibase

14559861

Analogs

14559865

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(2,5-dimethylphenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide (2S)-2-(2,5-dimethylphenoxy)-N-[…

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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)	3.33	9.99	-25.58	1	5	0	59	366.461	5	↓ MOL2 SDF SMILES Flexibase

14559865

Analogs

14559861

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(2,5-dimethylphenoxy)-N-[3-(pyrrolidine-1-carbonyl)phenyl]propanamide (2R)-2-(2,5-dimethylphenoxy)-N-[…

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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)	3.33	9.95	-25.73	1	5	0	59	366.461	5	↓ MOL2 SDF SMILES Flexibase

14559879

Analogs

14559882

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, 2-(4-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- butanamide, 2-(4-methylphenoxy)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	9.85	-25.83	1	5	0	59	366.461	6	↓ MOL2 SDF SMILES Flexibase

14559882

Analogs

14559879

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, 2-(4-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- butanamide, 2-(4-methylphenoxy)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.46	9.8	-25.68	1	5	0	59	366.461	6	↓ MOL2 SDF SMILES Flexibase

14559891

Analogs

14559894

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, 2-(3-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- butanamide, 2-(3-methylphenoxy)-…

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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)	3.43	9.9	-26.18	1	5	0	59	366.461	6	↓ MOL2 SDF SMILES Flexibase

14559894

Analogs

14559891

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, 2-(3-methylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- butanamide, 2-(3-methylphenoxy)-…

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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)	3.43	9.9	-26.1	1	5	0	59	366.461	6	↓ MOL2 SDF SMILES Flexibase

14559899

Analogs

14559903

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, 2-phenoxy-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- butanamide, 2-phenoxy-N-[3-(1-py…

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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	9.2	-25.9	1	5	0	59	352.434	6	↓ MOL2 SDF SMILES Flexibase

14559903

Analogs

14559899

Draw Identity 99% 90% 80% 70%

Popular Name: butanamide, 2-phenoxy-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- butanamide, 2-phenoxy-N-[3-(1-py…

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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	9.12	-25.83	1	5	0	59	352.434	6	↓ MOL2 SDF SMILES Flexibase

14559912

Analogs

14559915

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-chlorophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2-chlorophenoxy)…

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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)	3.14	9.22	-28.07	1	5	0	59	372.852	5	↓ MOL2 SDF SMILES Flexibase

14559915

Analogs

14559912

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-chlorophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2-chlorophenoxy)…

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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)	3.14	9.11	-28.54	1	5	0	59	372.852	5	↓ MOL2 SDF SMILES Flexibase

14559943

Analogs

14559946

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-nitrophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2-nitrophenoxy)-…

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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)	2.42	9.76	-39	1	8	0	104	383.404	6	↓ MOL2 SDF SMILES Flexibase

14559946

Analogs

14559943

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-nitrophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2-nitrophenoxy)-…

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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)	2.42	9.75	-38.53	1	8	0	104	383.404	6	↓ MOL2 SDF SMILES Flexibase

14559968

Analogs

14559972

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Popular Name: propanamide, 2-(4-nitrophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-nitrophenoxy)-…

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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	9.36	-27.96	1	8	0	104	383.404	6	↓ MOL2 SDF SMILES Flexibase

14559972

Analogs

14559968

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(4-nitrophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-nitrophenoxy)-…

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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	9.29	-28.17	1	8	0	104	383.404	6	↓ MOL2 SDF SMILES Flexibase

14559990

Analogs

14559993

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Popular Name: propanamide, 2-(4-ethylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-ethylphenoxy)-…

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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)	3.42	10.04	-25.69	1	5	0	59	366.461	6	↓ MOL2 SDF SMILES Flexibase

14559993

Analogs

14559990

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(4-ethylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-ethylphenoxy)-…

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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)	3.42	10.04	-25.73	1	5	0	59	366.461	6	↓ MOL2 SDF SMILES Flexibase

14559997

Analogs

14560000
14560113
14560116

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Popular Name: propanamide, 2-[4-(1-methylethyl)phenoxy]-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-[4-(1-methylethyl…

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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)	4.02	10.56	-25.68	1	5	0	59	380.488	6	↓ MOL2 SDF SMILES Flexibase

14560000

Analogs

14560113
14560116
14559997

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-[4-(1-methylethyl)phenoxy]-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-[4-(1-methylethyl…

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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)	4.02	10.59	-25.68	1	5	0	59	380.488	6	↓ MOL2 SDF SMILES Flexibase

14560026

Analogs

14560029
14559815
14559819

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Popular Name: propanamide, 2-(2,6-dimethylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2,6-dimethylphen…

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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	9.93	-23.94	1	5	0	59	366.461	5	↓ MOL2 SDF SMILES Flexibase

14560029

Analogs

14559815
14559819
14560026

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2,6-dimethylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2,6-dimethylphen…

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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	10	-24.24	1	5	0	59	366.461	5	↓ MOL2 SDF SMILES Flexibase

14560042

Analogs

14560045

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Popular Name: propanamide, 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-bromo-2,6-dime…

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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)	4.07	10.54	-22.76	1	5	0	59	445.357	5	↓ MOL2 SDF SMILES Flexibase

14560045

Analogs

14560042

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Popular Name: propanamide, 2-(4-bromo-2,6-dimethylphenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(4-bromo-2,6-dime…

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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)	4.07	10.59	-22.79	1	5	0	59	445.357	5	↓ MOL2 SDF SMILES Flexibase

14560048

Analogs

14560051

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Popular Name: propanamide, 2-(2-bromo-4-chlorophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2-bromo-4-chloro…

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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)	3.92	9.75	-26.91	1	5	0	59	451.748	5	↓ MOL2 SDF SMILES Flexibase

14560051

Analogs

14560048

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-(2-bromo-4-chlorophenoxy)-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-(2-bromo-4-chloro…

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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)	3.92	9.73	-27.02	1	5	0	59	451.748	5	↓ MOL2 SDF SMILES Flexibase

14560113

Analogs

14560116
14559997
14560000

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-[4-(1,1-dimethylethyl)phenoxy]-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-[4-(1,1-dimethyle…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	11.01	-25.51	1	5	0	59	394.515	6	↓ MOL2 SDF SMILES Flexibase

14560116

Analogs

14559997
14560000
14560113

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-[4-(1,1-dimethylethyl)phenoxy]-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-[4-(1,1-dimethyle…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	10.94	-25.64	1	5	0	59	394.515	6	↓ MOL2 SDF SMILES Flexibase

14560171

Analogs

14560174
14560178
14560182

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-[2-(1-methylpropyl)phenoxy]-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-[2-(1-methylpropy…

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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	11.27	-25.63	1	5	0	59	394.515	7	↓ MOL2 SDF SMILES Flexibase

14560174

Analogs

14560178
14560182
14560171

Draw Identity 99% 90% 80% 70%

Popular Name: propanamide, 2-[2-(1-methylpropyl)phenoxy]-N-[3-(1-pyrrolidinylcarbonyl)phenyl]- propanamide, 2-[2-(1-methylpropy…

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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	11.26	-25.7	1	5	0	59	394.515	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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Embed Link to Results

<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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