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ZINC Item

Suppliers, Protomers, & Similar Substances

52880247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[cyclopentyl(methyl)carbamoyl]amino]-2-phenyl-propanoic (2R)-2-[[cyclopentyl(methyl)carb…

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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	8.86	-60.4	1	5	-1	72	289.355	4	↓ MOL2 SDF SMILES Flexibase

52880249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[cyclopentyl(methyl)carbamoyl]amino]-2-phenyl-propanoic (2S)-2-[[cyclopentyl(methyl)carb…

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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	8.79	-60.17	1	5	-1	72	289.355	4	↓ MOL2 SDF SMILES Flexibase

20362546

Analogs

53160043
53160046
53160070
53160271
53160385

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(3,4-dichlorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic 1-[(3,4-dichlorophenyl)methylcar…

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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)	1.17	6.28	-62.05	2	5	-1	81	330.191	4	↓ MOL2 SDF SMILES Flexibase

20362547

Analogs

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Popular Name: 1-[(2,6-dichlorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic 1-[(2,6-dichlorophenyl)methylcar…

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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)	1.14	6.16	-66.04	2	5	-1	81	330.191	4	↓ MOL2 SDF SMILES Flexibase

58522997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentyl-1-[(3-methoxy-4-methylsulfanyl-phenyl)methyl]-1-methyl-urea 3-cyclopentyl-1-[(3-methoxy-4-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)	3.76	7.92	-12.34	1	4	0	42	308.447	5	↓ MOL2 SDF SMILES Flexibase

40545347

Analogs

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Popular Name: 1-[[benzyl(ethyl)carbamoyl]amino]cyclopentanecarboxylic 1-[[benzyl(ethyl)carbamoyl]amino…

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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)	1.06	9.35	-63.72	1	5	-1	72	289.355	5	↓ MOL2 SDF SMILES Flexibase

40549169

Analogs

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Popular Name: 3-[benzyl(cyclopentylcarbamoyl)amino]propanamide 3-[benzyl(cyclopentylcarbamoyl)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)	2.35	5.36	-11.99	3	5	0	75	289.379	6	↓ MOL2 SDF SMILES Flexibase

40550811

Analogs

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Popular Name: 2-[cyclopentyl-[(4-fluorophenyl)methylcarbamoyl]amino]acetic 2-[cyclopentyl-[(4-fluorophenyl)…

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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)	1.84	8.33	-44.25	1	5	-1	72	293.318	5	↓ MOL2 SDF SMILES Flexibase

40551513

Analogs

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Popular Name: 2-[cyclopentyl-[(2-fluorophenyl)methylcarbamoyl]amino]acetic 2-[cyclopentyl-[(2-fluorophenyl)…

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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)	1.79	8.28	-46.48	1	5	-1	72	293.318	5	↓ MOL2 SDF SMILES Flexibase

48979518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-3-[(3-methoxy-4-methyl-phenyl)methyl]urea 1-cyclopentyl-3-[(3-methoxy-4-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)	2.98	5.22	-8.33	2	4	0	50	262.353	4	↓ MOL2 SDF SMILES Flexibase

49241214

Analogs

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Popular Name: 1-[(2-bromo-5-fluoro-phenyl)methyl]-3-cyclopentyl-urea 1-[(2-bromo-5-fluoro-phenyl)meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	5.74	-7.21	2	3	0	41	315.186	3	↓ MOL2 SDF SMILES Flexibase

49241225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentyl-1-[(2-ethoxyphenyl)methyl]-1-methyl-urea 3-cyclopentyl-1-[(2-ethoxyphenyl…

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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)	3.73	9.06	-8.67	1	4	0	42	276.38	5	↓ MOL2 SDF SMILES Flexibase

49241227

Analogs

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Popular Name: 1-cyclopentyl-3-[(1S)-1-(3-nitrophenyl)ethyl]urea 1-cyclopentyl-3-[(1S)-1-(3-nitro…

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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)	3.04	6.74	-13.93	2	6	0	87	277.324	4	↓ MOL2 SDF SMILES Flexibase

49241229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-3-[(1R)-1-(3-nitrophenyl)ethyl]urea 1-cyclopentyl-3-[(1R)-1-(3-nitro…

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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)	3.04	6.74	-14.04	2	6	0	87	277.324	4	↓ MOL2 SDF SMILES Flexibase

49338991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(2-bromo-5-methoxy-phenyl)methyl]-3-cyclopentyl-urea 1-[(2-bromo-5-methoxy-phenyl)met…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.34	5.07	-8.25	2	4	0	50	327.222	4	↓ MOL2 SDF SMILES Flexibase

49339000

Analogs

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Popular Name: 3-cyclopentyl-1-[(3,4-dichlorophenyl)methyl]-1-ethyl-urea 3-cyclopentyl-1-[(3,4-dichloroph…

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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)	5.00	9.53	-10.2	1	3	0	32	315.244	4	↓ MOL2 SDF SMILES Flexibase

49339003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-cyclopentyl-3-[[3-(ethoxymethyl)phenyl]methyl]urea 1-cyclopentyl-3-[[3-(ethoxymethy…

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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	5.87	-8.18	2	4	0	50	276.38	6	↓ MOL2 SDF SMILES Flexibase

49396838

Analogs

34950137

Draw Identity 99% 90% 80% 70%

Popular Name: 3-cyclopentyl-1-methyl-1-[(4-nitrophenyl)methyl]urea 3-cyclopentyl-1-methyl-1-[(4-nit…

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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)	3.30	8.28	-12.37	1	6	0	78	277.324	4	↓ MOL2 SDF SMILES Flexibase

49513392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-(2-chlorophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(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)	1.07	7.32	-62.04	2	5	-1	81	309.773	4	↓ MOL2 SDF SMILES Flexibase

49513395

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-1-(2-chlorophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(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)	1.07	7.3	-61.41	2	5	-1	81	309.773	4	↓ MOL2 SDF SMILES Flexibase

49527196

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-(3-chlorophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(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)	1.10	7.37	-60.06	2	5	-1	81	309.773	4	↓ MOL2 SDF SMILES Flexibase

49527197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-1-(3-chlorophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(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)	1.10	7.37	-58.84	2	5	-1	81	309.773	4	↓ MOL2 SDF SMILES Flexibase

49527324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(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)	1.12	7.38	-58.08	2	5	-1	81	309.773	4	↓ MOL2 SDF SMILES Flexibase

49527325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1R)-1-(4-chlorophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(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)	1.12	7.38	-57.4	2	5	-1	81	309.773	4	↓ MOL2 SDF SMILES Flexibase

49527450

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-(4-bromophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1S)-1-(4-bromophenyl)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)	1.25	7.48	-57.87	2	5	-1	81	354.224	4	↓ MOL2 SDF SMILES Flexibase

49527451

Analogs

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Popular Name: 1-[[(1R)-1-(4-bromophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1R)-1-(4-bromophenyl)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)	1.25	7.48	-57.32	2	5	-1	81	354.224	4	↓ MOL2 SDF SMILES Flexibase

49527572

Analogs

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Popular Name: 1-[[(1R)-1-(o-tolyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1R)-1-(o-tolyl)ethyl]carbam…

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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)	0.84	7.35	-59.42	2	5	-1	81	289.355	4	↓ MOL2 SDF SMILES Flexibase

49527573

Analogs

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Popular Name: 1-[[(1S)-1-(o-tolyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1S)-1-(o-tolyl)ethyl]carbam…

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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)	0.84	7.44	-59.87	2	5	-1	81	289.355	4	↓ MOL2 SDF SMILES Flexibase

49532687

Analogs

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Popular Name: 1-[[(1S)-1-(2-fluorophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1S)-1-(2-fluorophenyl)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)	0.56	6.94	-63.73	2	5	-1	81	293.318	4	↓ MOL2 SDF SMILES Flexibase

49532688

Analogs

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Popular Name: 1-[[(1R)-1-(2-fluorophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1R)-1-(2-fluorophenyl)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)	0.56	6.93	-62.7	2	5	-1	81	293.318	4	↓ MOL2 SDF SMILES Flexibase

49532815

Analogs

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Popular Name: 1-[[(1S)-1-(3-fluorophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1S)-1-(3-fluorophenyl)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)	0.58	6.93	-60.83	2	5	-1	81	293.318	4	↓ MOL2 SDF SMILES Flexibase

49532816

Analogs

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Popular Name: 1-[[(1R)-1-(3-fluorophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1R)-1-(3-fluorophenyl)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)	0.58	6.93	-59.31	2	5	-1	81	293.318	4	↓ MOL2 SDF SMILES Flexibase

49561271

Analogs

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Popular Name: 1-[[(1R)-1-(p-tolyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1R)-1-(p-tolyl)ethyl]carbam…

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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)	0.89	7.53	-59.27	2	5	-1	81	289.355	4	↓ MOL2 SDF SMILES Flexibase

49561272

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(1S)-1-(p-tolyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1S)-1-(p-tolyl)ethyl]carbam…

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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)	0.89	7.54	-59.99	2	5	-1	81	289.355	4	↓ MOL2 SDF SMILES Flexibase

49571001

Analogs

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Popular Name: 1-[[(1S)-1-(3-bromophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1S)-1-(3-bromophenyl)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)	1.23	7.47	-60.08	2	5	-1	81	354.224	4	↓ MOL2 SDF SMILES Flexibase

49571002

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Popular Name: 1-[[(1R)-1-(3-bromophenyl)ethyl]carbamoylamino]cyclopentanecarboxylic 1-[[(1R)-1-(3-bromophenyl)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)	1.23	7.47	-58.77	2	5	-1	81	354.224	4	↓ MOL2 SDF SMILES Flexibase

49575814

Analogs

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Popular Name: 1-[(3,4-difluorophenyl)methylcarbamoylamino]cyclopentanecarboxylic 1-[(3,4-difluorophenyl)methylcar…

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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)	0.14	6.13	-56.38	2	5	-1	81	297.281	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 30353
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 = 30353 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30353&filter.purchasability=annotated

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', {
        "ring.id": "30353"        

    });
</script>

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