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ZINC Item

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52878515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2-cyclopentylacetyl)amino]-2-phenyl-propanoic (2R)-2-[(2-cyclopentylacetyl)ami…

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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)	2.75	8.81	-56.94	1	4	-1	69	274.34	5	↓ MOL2 SDF SMILES Flexibase

52878517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2-cyclopentylacetyl)amino]-2-phenyl-propanoic (2S)-2-[(2-cyclopentylacetyl)ami…

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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)	2.75	8.78	-57	1	4	-1	69	274.34	5	↓ MOL2 SDF SMILES Flexibase

52898922

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-2-cyclopentyl-acetamide N-[[4-(2-aminoethyl)phenyl]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)	1.85	5.75	-51.16	4	3	1	57	261.389	6	↓ MOL2 SDF SMILES Flexibase

52925700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-aminophenyl)methyl]-2-cyclopentyl-acetamide N-[(3-aminophenyl)methyl]-2-cycl…

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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	4.81	-7.03	3	3	0	55	232.327	4	↓ MOL2 SDF SMILES Flexibase

53459790

Analogs

26507116
26507121

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-acetamide (2S)-2-acetamido-2-cyclopentyl-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)	3.24	9.15	-12.83	1	4	0	49	357.281	5	↓ MOL2 SDF SMILES Flexibase

53459793

Analogs

26507116
26507121

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[(2,3-dichlorophenyl)methyl]-N-methyl-acetamide (2R)-2-acetamido-2-cyclopentyl-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)	3.24	8.09	-6.83	1	4	0	49	357.281	5	↓ MOL2 SDF SMILES Flexibase

53460304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	3.58	8.7	-16.08	2	4	0	58	357.281	5	↓ MOL2 SDF SMILES Flexibase

53460306

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	3.58	8.71	-17.01	2	4	0	58	357.281	5	↓ MOL2 SDF SMILES Flexibase

53460308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	3.58	7.57	-11.32	2	4	0	58	357.281	5	↓ MOL2 SDF SMILES Flexibase

53460310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	3.58	7.56	-12.33	2	4	0	58	357.281	5	↓ MOL2 SDF SMILES Flexibase

53460331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-N-[(1S)-1-(2-bromophenyl)ethyl]-2-cyclopentyl-acetamide (2R)-2-acetamido-N-[(1S)-1-(2-br…

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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)	3.05	8.28	-17.14	2	4	0	58	367.287	5	↓ MOL2 SDF SMILES Flexibase

53460333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-N-[(1R)-1-(2-bromophenyl)ethyl]-2-cyclopentyl-acetamide (2R)-2-acetamido-N-[(1R)-1-(2-br…

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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)	3.05	8.25	-17.81	2	4	0	58	367.287	5	↓ MOL2 SDF SMILES Flexibase

53460335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-[(1S)-1-(2-bromophenyl)ethyl]-2-cyclopentyl-acetamide (2S)-2-acetamido-N-[(1S)-1-(2-br…

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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)	3.05	7.17	-12.22	2	4	0	58	367.287	5	↓ MOL2 SDF SMILES Flexibase

53460337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-[(1R)-1-(2-bromophenyl)ethyl]-2-cyclopentyl-acetamide (2S)-2-acetamido-N-[(1R)-1-(2-br…

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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)	3.05	7.11	-13.04	2	4	0	58	367.287	5	↓ MOL2 SDF SMILES Flexibase

53461483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	2.69	7.44	-11.24	2	6	0	77	376.497	9	↓ MOL2 SDF SMILES Flexibase

53461485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	2.69	7.44	-11.62	2	6	0	77	376.497	9	↓ MOL2 SDF SMILES Flexibase

53461487

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(3,4-diethoxyphenyl)ethyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	2.69	7.71	-16.45	2	6	0	77	376.497	9	↓ MOL2 SDF SMILES Flexibase

53461488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(3,4-diethoxyphenyl)ethyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	2.69	7.71	-15.45	2	6	0	77	376.497	9	↓ MOL2 SDF SMILES Flexibase

53461911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	3.58	7.29	-8.39	2	4	0	58	357.281	5	↓ MOL2 SDF SMILES Flexibase

53461913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	3.58	7.35	-8.45	2	4	0	58	357.281	5	↓ MOL2 SDF SMILES Flexibase

53461915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	3.58	7.71	-12.79	2	4	0	58	357.281	5	↓ MOL2 SDF SMILES Flexibase

53461917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[(1R)-1-(2,4-dichlorophenyl)ethyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	3.58	7.62	-13.71	2	4	0	58	357.281	5	↓ MOL2 SDF SMILES Flexibase

53472429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	1.94	5.23	-14.69	2	6	0	77	370.396	8	↓ MOL2 SDF SMILES Flexibase

53472430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-acetamido-2-cyclopentyl-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]acetamide (2R)-2-acetamido-2-cyclopentyl-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)	1.94	6.39	-18.62	2	6	0	77	370.396	8	↓ MOL2 SDF SMILES Flexibase

53472707

Analogs

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Popular Name: N-[(1R)-1-cyclopentyl-2-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxo-ethyl]acetamide N-[(1R)-1-cyclopentyl-2-[[(1S)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	3.93	-16.11	2	6	0	92	366.483	6	↓ MOL2 SDF SMILES Flexibase

53472708

Analogs

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Popular Name: N-[(1R)-1-cyclopentyl-2-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxo-ethyl]acetamide N-[(1R)-1-cyclopentyl-2-[[(1R)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	3.93	-16.13	2	6	0	92	366.483	6	↓ MOL2 SDF SMILES Flexibase

53472709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopentyl-2-[[(1S)-1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxo-ethyl]acetamide N-[(1S)-1-cyclopentyl-2-[[(1S)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	4.21	-20.73	2	6	0	92	366.483	6	↓ MOL2 SDF SMILES Flexibase

53472710

Analogs

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Popular Name: N-[(1S)-1-cyclopentyl-2-[[(1R)-1-(4-methylsulfonylphenyl)ethyl]amino]-2-oxo-ethyl]acetamide N-[(1S)-1-cyclopentyl-2-[[(1R)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	4.21	-21.36	2	6	0	92	366.483	6	↓ MOL2 SDF SMILES Flexibase

36137325

Analogs

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Popular Name: 1-[2-[(3-chlorophenyl)methyl-methyl-amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[(3-chlorophenyl)methyl-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)	2.72	10.63	-65.25	0	4	-1	60	308.785	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.72	8.17	-16.22	1	4	0	58	309.793	5	↓ MOL2 SDF SMILES Flexibase

36138022

Analogs

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Popular Name: 1-[2-[methyl-[(1S)-1-phenylethyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[methyl-[(1S)-1-phenylethyl…

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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)	2.62	11.08	-62.71	0	4	-1	60	288.367	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.62	8.63	-14.12	1	4	0	58	289.375	5	↓ MOL2 SDF SMILES Flexibase

36138024

Analogs

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Popular Name: 1-[2-[methyl-[(1R)-1-phenylethyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[methyl-[(1R)-1-phenylethyl…

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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)	2.62	10.3	-61.4	0	4	-1	60	288.367	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.62	7.87	-15.32	1	4	0	58	289.375	5	↓ MOL2 SDF SMILES Flexibase

58351891

Analogs

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Popular Name: isopropyl isopropyl

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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)	2.63	11.32	-18.33	1	7	0	101	362.426	9	↓ MOL2 SDF SMILES Flexibase

58351892

Analogs

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Popular Name: isopropyl isopropyl

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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)	2.63	11.33	-18.35	1	7	0	101	362.426	9	↓ MOL2 SDF SMILES Flexibase

62887592

Analogs

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Popular Name: (2S)-2-acetamido-N-allyl-2-cyclopentyl-N-[(3-nitrophenyl)methyl]acetamide (2S)-2-acetamido-N-allyl-2-cyclo…

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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	10.49	-12.84	1	7	0	95	359.426	8	↓ MOL2 SDF SMILES Flexibase

69188470

Analogs

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Popular Name: 2-cyclopentyl-N-[(1S)-1-(3,4-dichlorophenyl)ethyl]acetamide 2-cyclopentyl-N-[(1S)-1-(3,4-dic…

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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)	4.71	8.74	-7.98	1	2	0	29	300.229	4	↓ MOL2 SDF SMILES Flexibase

69188472

Analogs

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Popular Name: 2-cyclopentyl-N-[(1R)-1-(3,4-dichlorophenyl)ethyl]acetamide 2-cyclopentyl-N-[(1R)-1-(3,4-dic…

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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)	4.71	8.74	-8.04	1	2	0	29	300.229	4	↓ MOL2 SDF SMILES Flexibase

69189940

Analogs

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Popular Name: N-[(1S)-1-(2-bromophenyl)ethyl]-2-cyclopentyl-acetamide N-[(1S)-1-(2-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)	4.19	8.31	-8.78	1	2	0	29	310.235	4	↓ MOL2 SDF SMILES Flexibase

69189943

Analogs

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Popular Name: N-[(1R)-1-(2-bromophenyl)ethyl]-2-cyclopentyl-acetamide N-[(1R)-1-(2-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)	4.19	8.27	-8.68	1	2	0	29	310.235	4	↓ MOL2 SDF SMILES Flexibase

62998830

Analogs

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Popular Name: 2-cyclopentyl-N-[(1S)-2-hydroxy-1-phenyl-ethyl]acetamide 2-cyclopentyl-N-[(1S)-2-hydroxy-…

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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	4.63	-6.99	2	3	0	49	247.338	5	↓ MOL2 SDF SMILES Flexibase

62998831

Analogs

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Popular Name: 2-cyclopentyl-N-[(1R)-2-hydroxy-1-phenyl-ethyl]acetamide 2-cyclopentyl-N-[(1R)-2-hydroxy-…

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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	4.6	-6.96	2	3	0	49	247.338	5	↓ MOL2 SDF SMILES Flexibase

63001718

Analogs

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Popular Name: 1-[2-[[(1S)-2-hydroxy-1-phenyl-ethyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[[(1S)-2-hydroxy-1-phenyl-e…

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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)	1.37	5.7	-58.3	2	5	-1	89	290.339	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.37	3.23	-13.3	3	5	0	87	291.347	6	↓ MOL2 SDF SMILES Flexibase

63001719

Analogs

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Popular Name: 1-[2-[[(1R)-2-hydroxy-1-phenyl-ethyl]amino]-2-oxo-ethyl]cyclopentanecarboxylic 1-[2-[[(1R)-2-hydroxy-1-phenyl-e…

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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)	1.37	5.7	-58.9	2	5	-1	89	290.339	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.37	3.23	-13.22	3	5	0	87	291.347	6	↓ MOL2 SDF SMILES Flexibase

69266250

Analogs

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Popular Name: 2-cyclopentyl-N-[(1R)-1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide 2-cyclopentyl-N-[(1R)-1-[4-(diet…

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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)	3.50	7.48	-12.88	1	5	0	66	366.527	8	↓ MOL2 SDF SMILES Flexibase

69266254

Analogs

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Popular Name: 2-cyclopentyl-N-[(1S)-1-[4-(diethylsulfamoyl)phenyl]ethyl]acetamide 2-cyclopentyl-N-[(1S)-1-[4-(diet…

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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)	3.50	7.48	-12.92	1	5	0	66	366.527	8	↓ MOL2 SDF SMILES Flexibase

63238232

Analogs

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Popular Name: N-[(3-cyanophenyl)methyl]-2-cyclopentyl-N-methyl-acetamide N-[(3-cyanophenyl)methyl]-2-cycl…

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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	9.43	-12.84	0	3	0	44	256.349	4	↓ MOL2 SDF SMILES Flexibase

69483777

Analogs

8723317

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Popular Name: 2-cyclopentyl-N-[(4-methoxyphenyl)methyl]-N-methyl-acetamide 2-cyclopentyl-N-[(4-methoxypheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	8.38	-8.74	0	3	0	30	261.365	5	↓ MOL2 SDF SMILES Flexibase

65569992

Analogs

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Popular Name: ethyl 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)	2.52	10.09	-12.26	1	4	0	55	321.392	8	↓ MOL2 SDF SMILES Flexibase

65730234

Analogs

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Popular Name: (2S)-2-acetamido-2-cyclopentyl-N-[(2-isobutoxyphenyl)methyl]acetamide (2S)-2-acetamido-2-cyclopentyl-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)	2.86	7.52	-11.78	2	5	0	67	346.471	8	↓ MOL2 SDF SMILES Flexibase

40553590

Analogs

37810229
37810232
37810259
37810260
37830545

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Popular Name: 2-cyclopentyl-N-[(2-nitrophenyl)methyl]acetamide 2-cyclopentyl-N-[(2-nitrophenyl)…

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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)	2.78	7.76	-12.31	1	5	0	75	262.309	5	↓ MOL2 SDF SMILES Flexibase

67501691

Analogs

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Popular Name: 2-cyclopentyl-N-[[4-[isopropyl(methyl)sulfamoyl]phenyl]methyl]acetamide 2-cyclopentyl-N-[[4-[isopropyl(m…

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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	6.32	-12.96	1	5	0	66	352.5	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 30088 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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