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53336694

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1R,2R)-2-[[(2S)-tetrahydrofuran…

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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	3.37	-42.7	3	2	1	37	170.276	2	↓ MOL2 SDF SMILES Flexibase

53336697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1R,2S)-2-[[(2S)-tetrahydrofuran…

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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	3.42	-42.87	3	2	1	37	170.276	2	↓ MOL2 SDF SMILES Flexibase

53336700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1S,2R)-2-[[(2S)-tetrahydrofuran…

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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	3.13	-40.58	3	2	1	37	170.276	2	↓ MOL2 SDF SMILES Flexibase

53336703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1S,2S)-2-[[(2S)-tetrahydrofuran…

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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	3.66	-43.38	3	2	1	37	170.276	2	↓ MOL2 SDF SMILES Flexibase

53336706

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1R,2R)-N-methyl-2-[[(2S)-tetrah…

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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)	2.01	5.29	-37.24	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

53336710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1S,2R)-N-methyl-2-[[(2S)-tetrah…

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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)	2.01	4.9	-34.43	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

53336712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1R,2S)-N-methyl-2-[[(2S)-tetrah…

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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)	2.01	5.16	-37.57	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

53336715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-methyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1S,2S)-N-methyl-2-[[(2S)-tetrah…

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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)	2.01	5.56	-37.9	2	2	1	26	184.303	3	↓ MOL2 SDF SMILES Flexibase

53336718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-ethyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1R,2R)-N-ethyl-2-[[(2S)-tetrahy…

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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)	2.38	6.13	-35.74	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

53336721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-ethyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1S,2R)-N-ethyl-2-[[(2S)-tetrahy…

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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)	2.38	5.74	-33.17	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

53336725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-ethyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1R,2S)-N-ethyl-2-[[(2S)-tetrahy…

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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)	2.38	6	-36.17	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

53336728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-ethyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1S,2S)-N-ethyl-2-[[(2S)-tetrahy…

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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)	2.38	6.4	-36.38	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

53336730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-propyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1R,2R)-N-propyl-2-[[(2S)-tetrah…

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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)	2.89	6.89	-36.51	2	2	1	26	212.357	5	↓ MOL2 SDF SMILES Flexibase

53336733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-propyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1S,2R)-N-propyl-2-[[(2S)-tetrah…

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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)	2.89	6.49	-33.9	2	2	1	26	212.357	5	↓ MOL2 SDF SMILES Flexibase

53336734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-propyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1R,2S)-N-propyl-2-[[(2S)-tetrah…

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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)	2.89	6.76	-37.01	2	2	1	26	212.357	5	↓ MOL2 SDF SMILES Flexibase

53336737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-propyl-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanamine (1S,2S)-N-propyl-2-[[(2S)-tetrah…

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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)	2.89	7.16	-37.19	2	2	1	26	212.357	5	↓ MOL2 SDF SMILES Flexibase

53338589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanol (1R,2R)-2-[[(2S)-tetrahydrofuran…

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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)	1.59	2.77	-3.31	1	2	0	29	170.252	2	↓ MOL2 SDF SMILES Flexibase

53338592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanol (1R,2S)-2-[[(2S)-tetrahydrofuran…

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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)	1.59	2.82	-3.18	1	2	0	29	170.252	2	↓ MOL2 SDF SMILES Flexibase

53338595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanol (1S,2R)-2-[[(2S)-tetrahydrofuran…

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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)	1.59	2.52	-4.75	1	2	0	29	170.252	2	↓ MOL2 SDF SMILES Flexibase

53338599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentanol (1S,2S)-2-[[(2S)-tetrahydrofuran…

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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)	1.59	3.01	-3.18	1	2	0	29	170.252	2	↓ MOL2 SDF SMILES Flexibase

53338794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R,2R)-2-chlorocyclopentyl]methyl]tetrahydrofuran (2S)-2-[[(1R,2R)-2-chlorocyclope…

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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)	2.83	6.27	-1.99	0	1	0	9	188.698	2	↓ MOL2 SDF SMILES Flexibase

53338797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S,2R)-2-chlorocyclopentyl]methyl]tetrahydrofuran (2S)-2-[[(1S,2R)-2-chlorocyclope…

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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)	2.83	6.32	-3.16	0	1	0	9	188.698	2	↓ MOL2 SDF SMILES Flexibase

53338800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R,2S)-2-chlorocyclopentyl]methyl]tetrahydrofuran (2S)-2-[[(1R,2S)-2-chlorocyclope…

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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)	2.83	6.92	-1.96	0	1	0	9	188.698	2	↓ MOL2 SDF SMILES Flexibase

53338802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S,2S)-2-chlorocyclopentyl]methyl]tetrahydrofuran (2S)-2-[[(1S,2S)-2-chlorocyclope…

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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)	2.83	6.22	-1.67	0	1	0	9	188.698	2	↓ MOL2 SDF SMILES Flexibase

53338987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R,2R)-2-bromocyclopentyl]methyl]tetrahydrofuran (2S)-2-[[(1R,2R)-2-bromocyclopen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	6.33	-1.87	0	1	0	9	233.149	2	↓ MOL2 SDF SMILES Flexibase

53338990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S,2R)-2-bromocyclopentyl]methyl]tetrahydrofuran (2S)-2-[[(1S,2R)-2-bromocyclopen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	6.41	-2.88	0	1	0	9	233.149	2	↓ MOL2 SDF SMILES Flexibase

53338992

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1R,2S)-2-bromocyclopentyl]methyl]tetrahydrofuran (2S)-2-[[(1R,2S)-2-bromocyclopen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	6.51	-2.8	0	1	0	9	233.149	2	↓ MOL2 SDF SMILES Flexibase

53338995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[(1S,2S)-2-bromocyclopentyl]methyl]tetrahydrofuran (2S)-2-[[(1S,2S)-2-bromocyclopen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	6.3	-1.59	0	1	0	9	233.149	2	↓ MOL2 SDF SMILES Flexibase

54655442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methanamine N-methyl-1-[1-[[(2S)-tetrahydrof…

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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)	2.23	6.12	-35.68	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

54655444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[1-[[(2R)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methanamine N-methyl-1-[1-[[(2R)-tetrahydrof…

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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)	2.23	6.18	-31.46	2	2	1	26	198.33	4	↓ MOL2 SDF SMILES Flexibase

54655584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]ethanamine N-[[1-[[(2S)-tetrahydrofuran-2-y…

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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	6.81	-30.86	2	2	1	26	212.357	5	↓ MOL2 SDF SMILES Flexibase

54655586

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]ethanamine N-[[1-[[(2R)-tetrahydrofuran-2-y…

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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	7.05	-30.14	2	2	1	26	212.357	5	↓ MOL2 SDF SMILES Flexibase

54655668

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]propan-1-amine N-[[1-[[(2S)-tetrahydrofuran-2-y…

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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	7.73	-35.21	2	2	1	26	226.384	6	↓ MOL2 SDF SMILES Flexibase

54655671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]propan-1-amine N-[[1-[[(2R)-tetrahydrofuran-2-y…

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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	7.55	-31.49	2	2	1	26	226.384	6	↓ MOL2 SDF SMILES Flexibase

54655769

Analogs

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Popular Name: N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]propan-2-amine N-[[1-[[(2S)-tetrahydrofuran-2-y…

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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)	2.90	7.33	-29.65	2	2	1	26	226.384	5	↓ MOL2 SDF SMILES Flexibase

54655771

Analogs

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Popular Name: N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]propan-2-amine N-[[1-[[(2R)-tetrahydrofuran-2-y…

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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)	2.90	7.53	-28.87	2	2	1	26	226.384	5	↓ MOL2 SDF SMILES Flexibase

54655970

Analogs

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Popular Name: 2-methyl-N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]propan-2-amine 2-methyl-N-[[1-[[(2S)-tetrahydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	7.7	-31.5	2	2	1	26	240.411	5	↓ MOL2 SDF SMILES Flexibase

54655971

Analogs

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Popular Name: 2-methyl-N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]propan-2-amine 2-methyl-N-[[1-[[(2R)-tetrahydro…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	7.92	-27.65	2	2	1	26	240.411	5	↓ MOL2 SDF SMILES Flexibase

54656028

Analogs

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Popular Name: 2-methyl-N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]propan-1-amine 2-methyl-N-[[1-[[(2S)-tetrahydro…

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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)	3.00	8.4	-34.77	2	2	1	26	240.411	6	↓ MOL2 SDF SMILES Flexibase

54656029

Analogs

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Popular Name: 2-methyl-N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]propan-1-amine 2-methyl-N-[[1-[[(2R)-tetrahydro…

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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)	3.00	8.24	-31.24	2	2	1	26	240.411	6	↓ MOL2 SDF SMILES Flexibase

54656186

Analogs

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Popular Name: 2-methoxy-N-[[1-[[(2S)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]ethanamine 2-methoxy-N-[[1-[[(2S)-tetrahydr…

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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)	1.86	6.11	-35.05	2	3	1	35	242.383	7	↓ MOL2 SDF SMILES Flexibase

54656188

Analogs

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Popular Name: 2-methoxy-N-[[1-[[(2R)-tetrahydrofuran-2-yl]methyl]cyclopentyl]methyl]ethanamine 2-methoxy-N-[[1-[[(2R)-tetrahydr…

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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)	1.86	5.94	-30.87	2	3	1	35	242.383	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 45177
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 = 45177 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=45177&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": "45177"        

    });
</script>

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