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ZINC Item

Suppliers, Protomers, & Similar Substances

52543796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]-N-methyl-methanamine 1-[2-[[(1S,4R)-5-azabicyclo[2.2.…

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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)	1.38	6.54	-102.82	3	3	2	34	222.332	4	↓ MOL2 SDF SMILES Flexibase

52543797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]methyl]ethanamine N-[[2-[[(1S,4R)-5-azabicyclo[2.2…

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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)	1.75	7.4	-103.11	3	3	2	34	236.359	5	↓ MOL2 SDF SMILES Flexibase

52543799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]methyl]propan-2-amine N-[[2-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.05	7.93	-101.07	3	3	2	34	250.386	5	↓ MOL2 SDF SMILES Flexibase

52543801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]methyl]-2-methyl-propan-2-amine N-[[2-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.56	8.34	-100.43	3	3	2	34	264.413	5	↓ MOL2 SDF SMILES Flexibase

52543803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-methyl-3-furyl]-N-methyl-methanamine 1-[5-[[(1S,4R)-5-azabicyclo[2.2.…

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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)	1.60	7.4	-88.4	3	3	2	34	236.359	4	↓ MOL2 SDF SMILES Flexibase

52543804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-methyl-3-furyl]methyl]ethanamine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	1.98	8.25	-88.16	3	3	2	34	250.386	5	↓ MOL2 SDF SMILES Flexibase

52543805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-methyl-3-furyl]methyl]propan-1-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.48	8.99	-89.63	3	3	2	34	264.413	6	↓ MOL2 SDF SMILES Flexibase

52543806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-methyl-3-furyl]methyl]propan-2-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.27	8.77	-87.12	3	3	2	34	264.413	5	↓ MOL2 SDF SMILES Flexibase

52543808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-methyl-3-furyl]methyl]-2-methyl-propan-2-am N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.78	9.2	-86.25	3	3	2	34	278.44	5	↓ MOL2 SDF SMILES Flexibase

52543809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-methyl-3-furyl]methyl]-2-methyl-propan-1-am N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.72	9.7	-90.04	3	3	2	34	278.44	6	↓ MOL2 SDF SMILES Flexibase

52543810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]-N-methyl-methanamine 1-[5-[[(1S,4R)-5-azabicyclo[2.2.…

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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)	1.69	6.73	-86.22	3	3	2	34	222.332	4	↓ MOL2 SDF SMILES Flexibase

52543811

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]methyl]ethanamine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.06	7.6	-86.01	3	3	2	34	236.359	5	↓ MOL2 SDF SMILES Flexibase

52543812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]methyl]propan-1-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.57	8.34	-87.47	3	3	2	34	250.386	6	↓ MOL2 SDF SMILES Flexibase

52543813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]methyl]propan-2-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.36	8.11	-85.01	3	3	2	34	250.386	5	↓ MOL2 SDF SMILES Flexibase

52543815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]methyl]-2-methyl-propan-2-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.87	8.53	-83.72	3	3	2	34	264.413	5	↓ MOL2 SDF SMILES Flexibase

52543816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]methyl]-2-methyl-propan-1-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.81	9.03	-88.01	3	3	2	34	264.413	6	↓ MOL2 SDF SMILES Flexibase

52543820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-furyl]methanamine [5-[[(1S,4R)-5-azabicyclo[2.2.1]…

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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)	1.31	4.85	-91.14	4	3	2	45	208.305	3	↓ MOL2 SDF SMILES Flexibase

52543821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-2-methyl-3-furyl]methanamine [5-[[(1S,4R)-5-azabicyclo[2.2.1]…

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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)	1.23	5.52	-93.27	4	3	2	45	222.332	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.23	5.11	-31.7	3	3	1	44	221.324	3	↓ MOL2 SDF SMILES Flexibase

52543822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]methanamine [2-[[(1S,4R)-5-azabicyclo[2.2.1]…

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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)	1.00	4.66	-108.72	4	3	2	45	208.305	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.00	4.26	-32.57	3	3	1	44	207.297	3	↓ MOL2 SDF SMILES Flexibase

52543861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-methyl-2-furyl]methanamine [5-[[(1S,4R)-5-azabicyclo[2.2.1]…

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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)	1.69	5.48	-91.31	4	3	2	45	222.332	3	↓ MOL2 SDF SMILES Flexibase

52543868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]methanamine [5-[[(1S,4R)-5-azabicyclo[2.2.1]…

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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)	1.00	4.69	-91.38	4	3	2	45	208.305	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.00	4.29	-31.49	3	3	1	44	207.297	3	↓ MOL2 SDF SMILES Flexibase

52543869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]-N-methyl-methanamine 1-[5-[[(1S,4R)-5-azabicyclo[2.2.…

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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)	1.38	6.57	-88.98	3	3	2	34	222.332	4	↓ MOL2 SDF SMILES Flexibase

52543870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]methyl]ethanamine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	1.75	7.43	-88.69	3	3	2	34	236.359	5	↓ MOL2 SDF SMILES Flexibase

52543871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]methyl]propan-1-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.26	8.17	-90.34	3	3	2	34	250.386	6	↓ MOL2 SDF SMILES Flexibase

52543872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]methyl]propan-2-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.05	7.96	-88.15	3	3	2	34	250.386	5	↓ MOL2 SDF SMILES Flexibase

52543874

Analogs

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Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]methyl]-2-methyl-propan-2-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.56	8.39	-87.14	3	3	2	34	264.413	5	↓ MOL2 SDF SMILES Flexibase

52543875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-furyl]methyl]-2-methyl-propan-1-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.50	8.87	-90.92	3	3	2	34	264.413	6	↓ MOL2 SDF SMILES Flexibase

52543908

Analogs

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Popular Name: 1-[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-methyl-2-furyl]-N-methyl-methanamine 1-[5-[[(1S,4R)-5-azabicyclo[2.2.…

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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)	2.06	7.36	-86.16	3	3	2	34	236.359	4	↓ MOL2 SDF SMILES Flexibase

52543909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-methyl-2-furyl]methyl]ethanamine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.44	8.22	-85.88	3	3	2	34	250.386	5	↓ MOL2 SDF SMILES Flexibase

52543910

Analogs

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Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-methyl-2-furyl]methyl]propan-1-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.94	8.97	-87.38	3	3	2	34	264.413	6	↓ MOL2 SDF SMILES Flexibase

52543911

Analogs

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Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-methyl-2-furyl]methyl]propan-2-amine N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	2.74	8.75	-84.67	3	3	2	34	264.413	5	↓ MOL2 SDF SMILES Flexibase

52543913

Analogs

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Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-methyl-2-furyl]methyl]-2-methyl-propan-2-am N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	3.25	9.16	-83.35	3	3	2	34	278.44	5	↓ MOL2 SDF SMILES Flexibase

52543914

Analogs

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Popular Name: N-[[5-[[(1S,4R)-5-azabicyclo[2.2.1]heptan-5-yl]methyl]-3-methyl-2-furyl]methyl]-2-methyl-propan-1-am N-[[5-[[(1S,4R)-5-azabicyclo[2.2…

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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)	3.19	9.66	-87.78	3	3	2	34	278.44	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 254562
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 = 254562 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=254562&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": "254562"        

    });
</script>

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