ZINC 12

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)	1.97	6.16	-44.53	3	4	1	49	276.404	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.97	4.27	-62.42	2	4	0	48	275.396	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.97	6.91	-80.54	4	4	0	50	277.412	5	↓ MOL2 SDF SMILES Flexibase

36335655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-dimethylaminophenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(4-dimethylaminophenyl)-3-[(3R…

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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)	1.97	6.16	-44.56	3	4	1	49	276.404	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.97	4.27	-62.27	2	4	0	48	275.396	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.97	6.91	-80.8	4	4	0	50	277.412	5	↓ MOL2 SDF SMILES Flexibase

36756967

Analogs

2057781
2057780

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2,3-dimethylphenyl)-3-[(3S)-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)	2.67	7.16	-44.21	3	3	1	46	261.389	4	↓ MOL2 SDF SMILES Flexibase

36756969

Analogs

2057781
2057780

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2,3-dimethylphenyl)-3-[(3R)-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)	2.67	7.16	-44.27	3	3	1	46	261.389	4	↓ MOL2 SDF SMILES Flexibase

36756970

Analogs

813328

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(4-methoxyphenyl)-3-[(3S)-3,4,…

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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)	1.92	5.03	-45.26	3	4	1	55	263.361	5	↓ MOL2 SDF SMILES Flexibase

36756971

Analogs

813328

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(4-methoxyphenyl)-3-[(3R)-3,4,…

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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)	1.92	5.03	-45.29	3	4	1	55	263.361	5	↓ MOL2 SDF SMILES Flexibase

36756994

Analogs

6318190
36349562

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropyl-6-methyl-phenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2-isopropyl-6-methyl-phenyl)-…

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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)	2.32	8.84	-43.42	3	3	1	46	289.443	5	↓ MOL2 SDF SMILES Flexibase

36756995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropyl-6-methyl-phenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2-isopropyl-6-methyl-phenyl)-…

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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)	2.32	8.84	-43.56	3	3	1	46	289.443	5	↓ MOL2 SDF SMILES Flexibase

36757002

Analogs

433668

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Popular Name: N-(4-sulfamoylphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(4-sulfamoylphenyl)-3-[(3S)-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)	0.56	0.7	-52.69	5	6	1	106	312.415	5	↓ MOL2 SDF SMILES Flexibase

36757003

Analogs

433668

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-sulfamoylphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(4-sulfamoylphenyl)-3-[(3R)-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)	0.56	0.7	-52.57	5	6	1	106	312.415	5	↓ MOL2 SDF SMILES Flexibase

36757004

Analogs

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Popular Name: N-ethyl-N-(o-tolyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-ethyl-N-(o-tolyl)-3-[(3S)-3,4,…

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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)	2.22	9.16	-44.65	2	3	1	37	275.416	5	↓ MOL2 SDF SMILES Flexibase

36757005

Analogs

303019
32753778

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(o-tolyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-ethyl-N-(o-tolyl)-3-[(3R)-3,4,…

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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)	2.22	9.16	-44.68	2	3	1	37	275.416	5	↓ MOL2 SDF SMILES Flexibase

36757013

Analogs

2057658
2057657

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]-N-(2,4,6-trimethylphenyl)propanamide 3-[(3S)-3,4,5,6-tetrahydro-2H-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)	2.13	8.04	-43.75	3	3	1	46	275.416	4	↓ MOL2 SDF SMILES Flexibase

36757014

Analogs

2057658
2057657

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]-N-(2,4,6-trimethylphenyl)propanamide 3-[(3R)-3,4,5,6-tetrahydro-2H-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)	2.13	8.04	-43.69	3	3	1	46	275.416	4	↓ MOL2 SDF SMILES Flexibase

36757015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethyl-6-methyl-phenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2-ethyl-6-methyl-phenyl)-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)	2.19	8.24	-43.89	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

36757016

Analogs

5674440
6168957

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethyl-6-methyl-phenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2-ethyl-6-methyl-phenyl)-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)	2.19	8.24	-43.83	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

36757021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2-methoxyphenyl)-3-[(3S)-3,4,…

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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)	1.87	5.18	-43.36	3	4	1	55	263.361	5	↓ MOL2 SDF SMILES Flexibase

36757023

Analogs

2064685
2064686

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2-methoxyphenyl)-3-[(3R)-3,4,…

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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)	1.87	5.18	-43.28	3	4	1	55	263.361	5	↓ MOL2 SDF SMILES Flexibase

36757024

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(4-ethoxyphenyl)-3-[(3S)-3,4,5…

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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	5.97	-45.08	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

36757025

Analogs

2181298
311958

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(4-ethoxyphenyl)-3-[(3R)-3,4,5…

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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	5.97	-45.05	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

36757033

Analogs

9910375

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2,4-dimethoxyphenyl)-3-[(3S)-…

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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)	1.91	4.46	-44.41	3	5	1	64	293.387	6	↓ MOL2 SDF SMILES Flexibase

36757035

Analogs

9910375

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethoxyphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2,4-dimethoxyphenyl)-3-[(3R)-…

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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)	1.91	4.46	-44.34	3	5	1	64	293.387	6	↓ MOL2 SDF SMILES Flexibase

36757038

Analogs

311465
2181300

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2-ethoxyphenyl)-3-[(3S)-3,4,5…

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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)	2.25	6.11	-43.03	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

36757039

Analogs

311465
2181300

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2-ethoxyphenyl)-3-[(3R)-3,4,5…

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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)	2.25	6.11	-42.93	3	4	1	55	277.388	6	↓ MOL2 SDF SMILES Flexibase

36757042

Analogs

4894345
484093

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-diethylphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2,6-diethylphenyl)-3-[(3S)-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)	2.66	8.84	-43.58	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

36757043

Analogs

4894345
484093

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-diethylphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2,6-diethylphenyl)-3-[(3R)-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)	2.66	8.84	-43.62	3	3	1	46	289.443	6	↓ MOL2 SDF SMILES Flexibase

36757048

Analogs

4691119
4691120

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide 3-[(3S)-3,4,5,6-tetrahydro-2H-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)	2.71	7	-42.29	3	3	1	46	301.332	5	↓ MOL2 SDF SMILES Flexibase

36757049

Analogs

4691119
4691120

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]-N-[2-(trifluoromethyl)phenyl]propanamide 3-[(3R)-3,4,5,6-tetrahydro-2H-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)	2.71	7	-42.09	3	3	1	46	301.332	5	↓ MOL2 SDF SMILES Flexibase

36757050

Analogs

5467518
5466805

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide 3-[(3S)-3,4,5,6-tetrahydro-2H-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)	2.74	6.76	-46.01	3	3	1	46	301.332	5	↓ MOL2 SDF SMILES Flexibase

36757051

Analogs

5467518
5466805

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]-N-[3-(trifluoromethyl)phenyl]propanamide 3-[(3R)-3,4,5,6-tetrahydro-2H-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)	2.74	6.76	-46.19	3	3	1	46	301.332	5	↓ MOL2 SDF SMILES Flexibase

36757052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(4-tert-butylphenyl)-3-[(3S)-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)	3.57	8.06	-43.47	3	3	1	46	289.443	5	↓ MOL2 SDF SMILES Flexibase

36757053

Analogs

310926
3996474

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-tert-butylphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(4-tert-butylphenyl)-3-[(3R)-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)	3.57	8.06	-43.56	3	3	1	46	289.443	5	↓ MOL2 SDF SMILES Flexibase

36757060

Analogs

43588547
43588549
4550679
4827947

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropylphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2-isopropylphenyl)-3-[(3S)-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)	2.86	7.88	-43.41	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

36757061

Analogs

43588547
43588549
4550679
4827947

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-isopropylphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2-isopropylphenyl)-3-[(3R)-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)	2.86	7.88	-43.44	3	3	1	46	275.416	5	↓ MOL2 SDF SMILES Flexibase

36757065

Analogs

49156064
5950368
2951228

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]-N-(2,3,4-trifluorophenyl)propanamide 3-[(3S)-3,4,5,6-tetrahydro-2H-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)	2.21	5.99	-44.95	3	3	1	46	287.305	4	↓ MOL2 SDF SMILES Flexibase

36757067

Analogs

49156064
5950368
2951228

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]-N-(2,3,4-trifluorophenyl)propanamide 3-[(3R)-3,4,5,6-tetrahydro-2H-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)	2.21	5.99	-44.62	3	3	1	46	287.305	4	↓ MOL2 SDF SMILES Flexibase

36757069

Analogs

49156077
19075220
19075224
2869499

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-difluorophenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2,5-difluorophenyl)-3-[(3S)-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)	2.12	5.94	-43.37	3	3	1	46	269.315	4	↓ MOL2 SDF SMILES Flexibase

36757070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-difluorophenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(2,5-difluorophenyl)-3-[(3R)-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)	2.12	5.94	-43.35	3	3	1	46	269.315	4	↓ MOL2 SDF SMILES Flexibase

36757071

Analogs

9910377

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(3,4-dimethoxyphenyl)-3-[(3S)-…

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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)	1.51	4.94	-47.91	3	5	1	64	293.387	6	↓ MOL2 SDF SMILES Flexibase

36757072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(3,4-dimethoxyphenyl)-3-[(3R)-…

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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)	1.51	4.94	-47.97	3	5	1	64	293.387	6	↓ MOL2 SDF SMILES Flexibase

36757077

Analogs

12588342
12588348

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-3-[(3S)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(3,5-dimethoxyphenyl)-3-[(3S)-…

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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)	1.91	4.35	-46.56	3	5	1	64	293.387	6	↓ MOL2 SDF SMILES Flexibase

36757078

Analogs

12588342
12588348

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-3-[(3R)-3,4,5,6-tetrahydro-2H-pyridin-3-yl]propanamide N-(3,5-dimethoxyphenyl)-3-[(3R)-…

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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)	1.91	4.35	-46.6	3	5	1	64	293.387	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 58457
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 58457 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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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    });
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