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ZINC Item

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52880601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[(1S,4R)-5-azabicyclo[2.2.1]heptane-5-carbonyl]amino]-2-phenyl-propanoic (2R)-2-[[(1S,4R)-5-azabicyclo[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)	2.71	8.6	-63.11	1	5	-1	72	287.339	3	↓ MOL2 SDF SMILES Flexibase

52880603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S,4R)-5-azabicyclo[2.2.1]heptane-5-carbonyl]amino]-2-phenyl-propanoic (2S)-2-[[(1S,4R)-5-azabicyclo[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)	2.71	8.6	-62.17	1	5	-1	72	287.339	3	↓ MOL2 SDF SMILES Flexibase

48982161

Analogs

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Popular Name: (1S,4R)-N-[(4-methylsulfanylphenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(4-methylsulfanylphen…

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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)	3.27	7.89	-8.96	1	3	0	32	276.405	3	↓ MOL2 SDF SMILES Flexibase

48982164

Analogs

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Popular Name: (1R,4S)-N-[(4-methylsulfanylphenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(4-methylsulfanylphen…

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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)	3.27	7.9	-8.92	1	3	0	32	276.405	3	↓ MOL2 SDF SMILES Flexibase

49241333

Analogs

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Popular Name: (1S,4R)-N-[(1S)-1-(2-methoxyphenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1S)-1-(2-methoxyphen…

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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)	3.40	7.12	-11.69	1	4	0	42	274.364	3	↓ MOL2 SDF SMILES Flexibase

49241336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1R)-1-(2-methoxyphen…

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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)	3.40	7.11	-11.66	1	4	0	42	274.364	3	↓ MOL2 SDF SMILES Flexibase

49241338

Analogs

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Popular Name: (1S,4R)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1S)-1-(2,4-dichlorop…

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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)	4.68	8.71	-9.66	1	3	0	32	313.228	2	↓ MOL2 SDF SMILES Flexibase

49241340

Analogs

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Popular Name: (1S,4R)-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1R)-1-(2,4-dichlorop…

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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)	4.68	8.66	-9.68	1	3	0	32	313.228	2	↓ MOL2 SDF SMILES Flexibase

49241379

Analogs

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Popular Name: (1S,4R)-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1S)-1-(3,4-dichlorop…

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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)	4.68	8.68	-9.42	1	3	0	32	313.228	2	↓ MOL2 SDF SMILES Flexibase

49241380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R)-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1R)-1-(3,4-dichlorop…

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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)	4.68	8.68	-9.49	1	3	0	32	313.228	2	↓ MOL2 SDF SMILES Flexibase

49241398

Analogs

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Popular Name: (1S,4R)-N-[(1S)-1-(2-bromophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1S)-1-(2-bromophenyl…

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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)	4.16	8.26	-10.58	1	3	0	32	323.234	2	↓ MOL2 SDF SMILES Flexibase

49241400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R)-N-[(1R)-1-(2-bromophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1R)-1-(2-bromophenyl…

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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)	4.16	8.21	-10.6	1	3	0	32	323.234	2	↓ MOL2 SDF SMILES Flexibase

49241434

Analogs

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Popular Name: (1S,4R)-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1R)-1-(2,5-dimethylp…

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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)	4.22	8.94	-8.89	1	3	0	32	272.392	2	↓ MOL2 SDF SMILES Flexibase

49241436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R)-N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1S)-1-(2,5-dimethylp…

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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)	4.22	8.92	-8.89	1	3	0	32	272.392	2	↓ MOL2 SDF SMILES Flexibase

49241438

Analogs

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Popular Name: (1S,4R)-N-[(1S)-1-(3-fluorophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1S)-1-(3-fluoropheny…

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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	7.78	-10.15	1	3	0	32	262.328	2	↓ MOL2 SDF SMILES Flexibase

49241440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R)-N-[(1R)-1-(3-fluorophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1R)-1-(3-fluoropheny…

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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	7.78	-10.25	1	3	0	32	262.328	2	↓ MOL2 SDF SMILES Flexibase

49241472

Analogs

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Popular Name: (1S,4R)-N-[(4-fluoro-3-methyl-phenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(4-fluoro-3-methyl-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)	3.38	7.56	-8.55	1	3	0	32	262.328	2	↓ MOL2 SDF SMILES Flexibase

49241473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,4S)-N-[(4-fluoro-3-methyl-phenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(4-fluoro-3-methyl-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)	3.38	7.58	-8.52	1	3	0	32	262.328	2	↓ MOL2 SDF SMILES Flexibase

49241648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R)-N-[(1S)-2-methyl-1-phenyl-propyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1S)-2-methyl-1-pheny…

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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)	4.14	8.77	-7.82	1	3	0	32	272.392	3	↓ MOL2 SDF SMILES Flexibase

49241650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,4R)-N-[(1R)-2-methyl-1-phenyl-propyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1R)-2-methyl-1-pheny…

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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)	4.14	8.98	-8.79	1	3	0	32	272.392	3	↓ MOL2 SDF SMILES Flexibase

49242006

Analogs

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Popular Name: (1S,4R)-N-[(3-fluorophenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(3-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)	2.98	6.93	-9.05	1	3	0	32	248.301	2	↓ MOL2 SDF SMILES Flexibase

49242008

Analogs

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Popular Name: (1R,4S)-N-[(3-fluorophenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(3-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)	2.98	6.95	-8.83	1	3	0	32	248.301	2	↓ MOL2 SDF SMILES Flexibase

49242016

Analogs

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Popular Name: (1S,4R)-N-[[4-(methoxymethyl)phenyl]methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[[4-(methoxymethyl)phe…

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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)	2.79	6.6	-9.25	1	4	0	42	274.364	4	↓ MOL2 SDF SMILES Flexibase

49242018

Analogs

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Popular Name: (1R,4S)-N-[[4-(methoxymethyl)phenyl]methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[[4-(methoxymethyl)phe…

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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)	2.79	6.61	-9.22	1	4	0	42	274.364	4	↓ MOL2 SDF SMILES Flexibase

49242095

Analogs

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Popular Name: (1S,4R)-N-[(3-ethoxyphenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(3-ethoxyphenyl)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)	3.24	7.09	-9.68	1	4	0	42	274.364	4	↓ MOL2 SDF SMILES Flexibase

49242097

Analogs

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Popular Name: (1R,4S)-N-[(3-ethoxyphenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(3-ethoxyphenyl)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)	3.24	7.11	-9.55	1	4	0	42	274.364	4	↓ MOL2 SDF SMILES Flexibase

49242149

Analogs

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Popular Name: (1S,4R)-N-[(2-bromo-5-methoxy-phenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(2-bromo-5-methoxy-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)	3.63	6.75	-9.38	1	4	0	42	339.233	3	↓ MOL2 SDF SMILES Flexibase

49242150

Analogs

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Popular Name: (1R,4S)-N-[(2-bromo-5-methoxy-phenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(2-bromo-5-methoxy-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)	3.63	6.77	-9.33	1	4	0	42	339.233	3	↓ MOL2 SDF SMILES Flexibase

49242172

Analogs

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Popular Name: (1S,4R)-N-[(4-nitrophenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(4-nitrophenyl)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)	2.80	7.58	-11.43	1	6	0	78	275.308	3	↓ MOL2 SDF SMILES Flexibase

49242174

Analogs

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Popular Name: (1R,4S)-N-[(4-nitrophenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(4-nitrophenyl)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)	2.80	7.6	-11.42	1	6	0	78	275.308	3	↓ MOL2 SDF SMILES Flexibase

49242188

Analogs

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Popular Name: (1S,4R)-N-[(2-bromo-5-fluoro-phenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(2-bromo-5-fluoro-phe…

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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	7.43	-8.17	1	3	0	32	327.197	2	↓ MOL2 SDF SMILES Flexibase

49242190

Analogs

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Popular Name: (1R,4S)-N-[(2-bromo-5-fluoro-phenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(2-bromo-5-fluoro-phe…

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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	7.45	-8.22	1	3	0	32	327.197	2	↓ MOL2 SDF SMILES Flexibase

49242225

Analogs

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Popular Name: (1S,4R)-N-[(3-bromo-5-fluoro-phenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(3-bromo-5-fluoro-phe…

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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	7.55	-7.62	1	3	0	32	327.197	2	↓ MOL2 SDF SMILES Flexibase

49242227

Analogs

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Popular Name: (1R,4S)-N-[(3-bromo-5-fluoro-phenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(3-bromo-5-fluoro-phe…

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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	7.56	-7.61	1	3	0	32	327.197	2	↓ MOL2 SDF SMILES Flexibase

49242356

Analogs

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Popular Name: (1S,4R)-N-[(3-cyanophenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(3-cyanophenyl)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)	2.57	7.25	-11.71	1	4	0	56	255.321	2	↓ MOL2 SDF SMILES Flexibase

49242358

Analogs

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Popular Name: (1R,4S)-N-[(3-cyanophenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(3-cyanophenyl)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)	2.57	7.26	-11.6	1	4	0	56	255.321	2	↓ MOL2 SDF SMILES Flexibase

49242377

Analogs

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Popular Name: (1S,4R)-N-[(1S)-1-(2,5-difluorophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1S)-1-(2,5-difluorop…

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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	7.87	-9.56	1	3	0	32	280.318	2	↓ MOL2 SDF SMILES Flexibase

49242379

Analogs

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Popular Name: (1S,4R)-N-[(1R)-1-(2,5-difluorophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1R)-1-(2,5-difluorop…

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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	7.85	-9.51	1	3	0	32	280.318	2	↓ MOL2 SDF SMILES Flexibase

49242381

Analogs

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Popular Name: (1S,4R)-N-[[3-(methoxymethyl)phenyl]methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[[3-(methoxymethyl)phe…

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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	6.59	-9.36	1	4	0	42	274.364	4	↓ MOL2 SDF SMILES Flexibase

49242383

Analogs

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Popular Name: (1R,4S)-N-[[3-(methoxymethyl)phenyl]methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[[3-(methoxymethyl)phe…

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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	6.6	-9.33	1	4	0	42	274.364	4	↓ MOL2 SDF SMILES Flexibase

49242654

Analogs

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Popular Name: (1S,4R)-N-[(2-ethoxyphenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(2-ethoxyphenyl)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)	3.22	7.13	-10.32	1	4	0	42	274.364	4	↓ MOL2 SDF SMILES Flexibase

49242656

Analogs

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Popular Name: (1R,4S)-N-[(2-ethoxyphenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(2-ethoxyphenyl)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)	3.22	7.14	-10.35	1	4	0	42	274.364	4	↓ MOL2 SDF SMILES Flexibase

49242882

Analogs

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Popular Name: (1S,4R)-N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1S)-1-(3-chloro-4-fl…

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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)	4.16	8.27	-9.92	1	3	0	32	296.773	2	↓ MOL2 SDF SMILES Flexibase

49242884

Analogs

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Popular Name: (1S,4R)-N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1R)-1-(3-chloro-4-fl…

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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)	4.16	8.27	-10.07	1	3	0	32	296.773	2	↓ MOL2 SDF SMILES Flexibase

49243085

Analogs

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Popular Name: (1S,4R)-N-[(1S)-1-(4-cyanophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1S)-1-(4-cyanophenyl…

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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	8.1	-11.51	1	4	0	56	269.348	2	↓ MOL2 SDF SMILES Flexibase

49243087

Analogs

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Popular Name: (1S,4R)-N-[(1R)-1-(4-cyanophenyl)ethyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(1R)-1-(4-cyanophenyl…

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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	8.1	-11.54	1	4	0	56	269.348	2	↓ MOL2 SDF SMILES Flexibase

49340289

Analogs

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Popular Name: (1S,4R)-N-[(4-bromo-2-chloro-phenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(4-bromo-2-chloro-phe…

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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	7.94	-8.12	1	3	0	32	343.652	2	↓ MOL2 SDF SMILES Flexibase

49340290

Analogs

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Popular Name: (1R,4S)-N-[(4-bromo-2-chloro-phenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(4-bromo-2-chloro-phe…

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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	7.95	-7.93	1	3	0	32	343.652	2	↓ MOL2 SDF SMILES Flexibase

49397170

Analogs

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Popular Name: (1S,4R)-N-[(3-nitrophenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1S,4R)-N-[(3-nitrophenyl)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)	2.77	7.58	-12.92	1	6	0	78	275.308	3	↓ MOL2 SDF SMILES Flexibase

49397172

Analogs

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Popular Name: (1R,4S)-N-[(3-nitrophenyl)methyl]-5-azabicyclo[2.2.1]heptane-5-carboxamide (1R,4S)-N-[(3-nitrophenyl)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)	2.77	7.6	-12.7	1	6	0	78	275.308	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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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 = 30376 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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