ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

35016600

Analogs

35016602
37119096
37119097

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(5-bromo-2-furyl)methyl]-1-(4-fluorophenyl)-2-methyl-propan-1-amine (1S)-N-[(5-bromo-2-furyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.55	9	-45.84	2	2	1	30	327.217	5	↓ MOL2 SDF SMILES Flexibase

35016602

Analogs

37119096
37119097
35016600

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(5-bromo-2-furyl)methyl]-1-(4-fluorophenyl)-2-methyl-propan-1-amine (1R)-N-[(5-bromo-2-furyl)methyl]…

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Activity (Go SEA)

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)	4.55	9.01	-44.4	2	2	1	30	327.217	5	↓ MOL2 SDF SMILES Flexibase

35016752

Analogs

35016754

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-fluoro-4-methoxy-phenyl)-N-[(5-methyl-2-furyl)methyl]ethanamine (1S)-1-(3-fluoro-4-methoxy-pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	7.21	-47.38	2	3	1	39	264.32	5	↓ MOL2 SDF SMILES Flexibase

35016754

Analogs

35016752

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-fluoro-4-methoxy-phenyl)-N-[(5-methyl-2-furyl)methyl]ethanamine (1R)-1-(3-fluoro-4-methoxy-pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.08	7.2	-47.01	2	3	1	39	264.32	5	↓ MOL2 SDF SMILES Flexibase

35016806

Analogs

35016808

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(5-bromo-2-furyl)methyl]-1-(3-fluoro-4-methoxy-phenyl)ethanamine (1S)-N-[(5-bromo-2-furyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	7.11	-51.15	2	3	1	39	329.189	5	↓ MOL2 SDF SMILES Flexibase

35016808

Analogs

35016806

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(5-bromo-2-furyl)methyl]-1-(3-fluoro-4-methoxy-phenyl)ethanamine (1R)-N-[(5-bromo-2-furyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	7.11	-50.53	2	3	1	39	329.189	5	↓ MOL2 SDF SMILES Flexibase

35624737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2,4-dichlorophenyl)-N-(2-furylmethyl)propan-1-amine (1S)-1-(2,4-dichlorophenyl)-N-(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)	3.60	8.57	-39.18	2	2	1	30	285.194	5	↓ MOL2 SDF SMILES Flexibase

35624739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2,4-dichlorophenyl)-N-(2-furylmethyl)propan-1-amine (1R)-1-(2,4-dichlorophenyl)-N-(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)	3.60	8.62	-39.47	2	2	1	30	285.194	5	↓ MOL2 SDF SMILES Flexibase

35628439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(2-furylmethylamino)ethyl]-4-methyl-phenol 2-[(1R)-1-(2-furylmethylamino)et…

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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)	3.08	4.95	-38.89	3	3	1	50	232.303	4	↓ MOL2 SDF SMILES Flexibase

35628440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(2-furylmethylamino)ethyl]-4-methyl-phenol 2-[(1S)-1-(2-furylmethylamino)et…

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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)	3.08	4.97	-40.22	3	3	1	50	232.303	4	↓ MOL2 SDF SMILES Flexibase

20121885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-N-[(5-methyl-2-furyl)methyl]ethanamine (1R)-1-(4-chlorophenyl)-N-[(5-me…

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Activity (Go SEA)

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)	3.61	8.48	-44.21	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20121886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-N-[(5-methyl-2-furyl)methyl]ethanamine (1S)-1-(4-chlorophenyl)-N-[(5-me…

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Activity (Go SEA)

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)	3.61	8.46	-44.47	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20121895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(5-bromo-2-furyl)methyl]-1-(4-chlorophenyl)ethanamine (1R)-N-[(5-bromo-2-furyl)methyl]…

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Activity (Go SEA)

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)	4.32	8.4	-47.67	2	2	1	30	315.618	4	↓ MOL2 SDF SMILES Flexibase

20121896

Analogs

36994607
36994608
37129016

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(5-bromo-2-furyl)methyl]-1-(4-chlorophenyl)ethanamine (1S)-N-[(5-bromo-2-furyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.32	8.39	-48.3	2	2	1	30	315.618	4	↓ MOL2 SDF SMILES Flexibase

20121953

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-N-[(1S)-1-(2-furyl)ethyl]ethanamine (1R)-1-(4-chlorophenyl)-N-[(1S)-…

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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)	3.95	8.08	-40.42	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20121954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-N-[(1S)-1-(2-furyl)ethyl]ethanamine (1S)-1-(4-chlorophenyl)-N-[(1S)-…

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Activity (Go SEA)

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)	3.95	8.17	-40.86	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20121955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-N-[(1R)-1-(2-furyl)ethyl]ethanamine (1R)-1-(4-chlorophenyl)-N-[(1R)-…

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Activity (Go SEA)

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)	3.95	8.18	-40.88	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20121956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-N-[(1R)-1-(2-furyl)ethyl]ethanamine (1S)-1-(4-chlorophenyl)-N-[(1R)-…

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Activity (Go SEA)

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)	3.95	8.08	-40.4	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20121965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(1R)-1-(4-chlorophenyl)e…

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Activity (Go SEA)

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)	4.17	8.9	-40.08	2	2	1	30	264.776	4	↓ MOL2 SDF SMILES Flexibase

20121966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(1S)-1-(4-chlorophenyl)e…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.17	8.97	-40.59	2	2	1	30	264.776	4	↓ MOL2 SDF SMILES Flexibase

20121967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(4-chlorophenyl)ethyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(1R)-1-(4-chlorophenyl)e…

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Activity (Go SEA)

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)	4.17	8.97	-40.59	2	2	1	30	264.776	4	↓ MOL2 SDF SMILES Flexibase

20121968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(1S)-1-(4-chlorophenyl)e…

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Activity (Go SEA)

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)	4.17	9.1	-41.37	2	2	1	30	264.776	4	↓ MOL2 SDF SMILES Flexibase

20122793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-furyl)methanamine N-[(3,4-dimethoxyphenyl)methyl]-…

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Activity (Go SEA)

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)	2.02	6.41	-49.8	2	4	1	48	262.329	6	↓ MOL2 SDF SMILES Flexibase

20122799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-furyl)methyl]-1-(3,4-dimethoxyphenyl)methanamine N-[(5-bromo-2-furyl)methyl]-1-(3…

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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)	2.73	6.34	-53.55	2	4	1	48	327.198	6	↓ MOL2 SDF SMILES Flexibase

20122823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(2-furyl)ethanamine (1S)-N-[(3,4-dimethoxyphenyl)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)	2.36	6.18	-46.63	2	4	1	48	262.329	6	↓ MOL2 SDF SMILES Flexibase

20122824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-(2-furyl)ethanamine (1R)-N-[(3,4-dimethoxyphenyl)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)	2.36	6.17	-46.71	2	4	1	48	262.329	6	↓ MOL2 SDF SMILES Flexibase

20122825

Analogs

34993586
34993587

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(3,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(3,4-dimethoxyphenyl)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)	2.58	6.99	-46.45	2	4	1	48	276.356	6	↓ MOL2 SDF SMILES Flexibase

20122826

Analogs

34993586
34993587

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(3,4-dimethoxyphenyl)methyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(3,4-dimethoxyphenyl)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)	2.58	6.99	-46.51	2	4	1	48	276.356	6	↓ MOL2 SDF SMILES Flexibase

20123998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chlorophenyl)-N-[(5-methyl-2-furyl)methyl]ethanamine (1R)-1-(2-chlorophenyl)-N-[(5-me…

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Activity (Go SEA)

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)	3.56	8.43	-39.33	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.56	7.17	-4.42	1	2	0	25	249.741	4	↓ MOL2 SDF SMILES Flexibase

20123999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chlorophenyl)-N-[(5-methyl-2-furyl)methyl]ethanamine (1S)-1-(2-chlorophenyl)-N-[(5-me…

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Activity (Go SEA)

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)	3.56	8.4	-39.87	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.56	7.29	-5.01	1	2	0	25	249.741	4	↓ MOL2 SDF SMILES Flexibase

20124008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(5-bromo-2-furyl)methyl]-1-(2-chlorophenyl)ethanamine (1R)-N-[(5-bromo-2-furyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	8.36	-42.48	2	2	1	30	315.618	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.27	7.21	-3.3	1	2	0	25	314.61	4	↓ MOL2 SDF SMILES Flexibase

20124009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(5-bromo-2-furyl)methyl]-1-(2-chlorophenyl)ethanamine (1S)-N-[(5-bromo-2-furyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.27	8.34	-43.47	2	2	1	30	315.618	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.27	7.06	-3.27	1	2	0	25	314.61	4	↓ MOL2 SDF SMILES Flexibase

20124058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chlorophenyl)-N-[(1R)-1-(2-furyl)ethyl]ethanamine (1S)-1-(2-chlorophenyl)-N-[(1R)-…

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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)	3.90	7.98	-34.78	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20124059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chlorophenyl)-N-[(1S)-1-(2-furyl)ethyl]ethanamine (1S)-1-(2-chlorophenyl)-N-[(1S)-…

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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)	3.90	8.1	-36.22	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20124060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chlorophenyl)-N-[(1R)-1-(2-furyl)ethyl]ethanamine (1R)-1-(2-chlorophenyl)-N-[(1R)-…

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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)	3.90	8.14	-36.11	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20124061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chlorophenyl)-N-[(1S)-1-(2-furyl)ethyl]ethanamine (1R)-1-(2-chlorophenyl)-N-[(1S)-…

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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)	3.90	7.96	-34.82	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20124070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(1S)-1-(2-chlorophenyl)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)	4.12	9.03	-38.27	2	2	1	30	264.776	4	↓ MOL2 SDF SMILES Flexibase

20124071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(2-chlorophenyl)ethyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(1S)-1-(2-chlorophenyl)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)	4.12	8.9	-35.85	2	2	1	30	264.776	4	↓ MOL2 SDF SMILES Flexibase

20124072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-methyl-2-furyl)ethanamine (1R)-N-[(1R)-1-(2-chlorophenyl)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)	4.12	8.93	-35.77	2	2	1	30	264.776	4	↓ MOL2 SDF SMILES Flexibase

20124073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(1R)-1-(2-chlorophenyl)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)	4.12	8.78	-34.4	2	2	1	30	264.776	4	↓ MOL2 SDF SMILES Flexibase

20124180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-chlorophenyl)-N-[(5-methyl-2-furyl)methyl]ethanamine (1R)-1-(3-chlorophenyl)-N-[(5-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)	3.59	8.47	-42.04	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20124181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-chlorophenyl)-N-[(5-methyl-2-furyl)methyl]ethanamine (1S)-1-(3-chlorophenyl)-N-[(5-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)	3.59	8.45	-43.7	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20124190

Analogs

53148253
53155444

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Popular Name: (1R)-N-[(5-bromo-2-furyl)methyl]-1-(3-chlorophenyl)ethanamine (1R)-N-[(5-bromo-2-furyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.30	8.39	-45.57	2	2	1	30	315.618	4	↓ MOL2 SDF SMILES Flexibase

20124191

Analogs

53148253
53155444

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(5-bromo-2-furyl)methyl]-1-(3-chlorophenyl)ethanamine (1S)-N-[(5-bromo-2-furyl)methyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.30	8.38	-47.43	2	2	1	30	315.618	4	↓ MOL2 SDF SMILES Flexibase

20124248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-chlorophenyl)-N-[(1S)-1-(2-furyl)ethyl]ethanamine (1R)-1-(3-chlorophenyl)-N-[(1S)-…

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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)	3.92	8.29	-38.74	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20124249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-chlorophenyl)-N-[(1S)-1-(2-furyl)ethyl]ethanamine (1S)-1-(3-chlorophenyl)-N-[(1S)-…

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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)	3.92	8.16	-39.93	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20124250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-chlorophenyl)-N-[(1R)-1-(2-furyl)ethyl]ethanamine (1R)-1-(3-chlorophenyl)-N-[(1R)-…

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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)	3.92	8.18	-38.76	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20124251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-chlorophenyl)-N-[(1R)-1-(2-furyl)ethyl]ethanamine (1S)-1-(3-chlorophenyl)-N-[(1R)-…

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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)	3.92	8.09	-38.58	2	2	1	30	250.749	4	↓ MOL2 SDF SMILES Flexibase

20124260

Analogs

53148202

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1R)-1-(3-chlorophenyl)ethyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(1R)-1-(3-chlorophenyl)e…

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Activity (Go SEA)

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)	4.15	8.9	-38.27	2	2	1	30	264.776	4	↓ MOL2 SDF SMILES Flexibase

20124261

Analogs

53148202

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[(1S)-1-(3-chlorophenyl)ethyl]-1-(5-methyl-2-furyl)ethanamine (1S)-N-[(1S)-1-(3-chlorophenyl)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)	4.15	8.96	-39.66	2	2	1	30	264.776	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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