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ZINC Item

Suppliers, Protomers, & Similar Substances

61702028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N1-[[(3S)-tetrahydrofuran-3-yl]methyl]benzene-1,3-diamine 4-methyl-N1-[[(3S)-tetrahydrofur…

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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)	2.14	2.87	-4.81	3	3	0	47	206.289	3	↓ MOL2 SDF SMILES Flexibase

61702029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N1-[[(3R)-tetrahydrofuran-3-yl]methyl]benzene-1,3-diamine 4-methyl-N1-[[(3R)-tetrahydrofur…

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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)	2.14	2.89	-4.74	3	3	0	47	206.289	3	↓ MOL2 SDF SMILES Flexibase

40234721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-ethyl-N-(m-tolyl)-1-[(3S)-tetrahydrofuran-3-yl]ethane-1,2-diamine (1R)-N-ethyl-N-(m-tolyl)-1-[(3S)…

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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)	2.12	5.43	-49.63	3	3	1	40	249.378	5	↓ MOL2 SDF SMILES Flexibase

40234723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-ethyl-N-(m-tolyl)-1-[(3S)-tetrahydrofuran-3-yl]ethane-1,2-diamine (1S)-N-ethyl-N-(m-tolyl)-1-[(3S)…

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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)	2.12	5.18	-42.84	3	3	1	40	249.378	5	↓ MOL2 SDF SMILES Flexibase

20120896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-[[(3S)-tetrahydrofuran-3-yl]methylamino]benzamide N,N-diethyl-3-[[(3S)-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)	1.98	6	-10.79	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

20120898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-3-[[(3R)-tetrahydrofuran-3-yl]methylamino]benzamide N,N-diethyl-3-[[(3R)-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)	1.98	5.94	-10.98	1	4	0	42	276.38	6	↓ MOL2 SDF SMILES Flexibase

20124701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-[[(3S)-tetrahydrofuran-3-yl]methylamino]benzamide N-methyl-3-[[(3S)-tetrahydrofura…

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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)	1.45	2.49	-12.05	2	4	0	50	234.299	4	↓ MOL2 SDF SMILES Flexibase

20124702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-[[(3R)-tetrahydrofuran-3-yl]methylamino]benzamide N-methyl-3-[[(3R)-tetrahydrofura…

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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)	1.45	2.44	-12.06	2	4	0	50	234.299	4	↓ MOL2 SDF SMILES Flexibase

20124985

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3S)-tetrahydrofuran-3-yl]methylamino]benzamide 3-[[(3S)-tetrahydrofuran-3-yl]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)	1.08	0.97	-12.11	3	4	0	64	220.272	4	↓ MOL2 SDF SMILES Flexibase

20124986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(3R)-tetrahydrofuran-3-yl]methylamino]benzamide 3-[[(3R)-tetrahydrofuran-3-yl]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)	1.08	0.92	-12.12	3	4	0	64	220.272	4	↓ MOL2 SDF SMILES Flexibase

20126537

Analogs

37781710
37781711

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3S)-tetrahydrofuran-3-yl]methylamino]phenoxy]acetonitrile 2-[4-[[(3S)-tetrahydrofuran-3-yl…

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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)	2.12	4.24	-10.02	1	4	0	54	232.283	5	↓ MOL2 SDF SMILES Flexibase

20126538

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[[(3R)-tetrahydrofuran-3-yl]methylamino]phenoxy]acetonitrile 2-[4-[[(3R)-tetrahydrofuran-3-yl…

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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)	2.12	4.17	-9.99	1	4	0	54	232.283	5	↓ MOL2 SDF SMILES Flexibase

20126675

Analogs

37787719
37787720

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-[[(3S)-tetrahydrofuran-3-yl]methylamino]benzenesulfonamide 2-methyl-5-[[(3S)-tetrahydrofura…

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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)	1.35	-0	-13.64	3	5	0	81	270.354	4	↓ MOL2 SDF SMILES Flexibase

20126676

Analogs

37787719
37787720

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-5-[[(3R)-tetrahydrofuran-3-yl]methylamino]benzenesulfonamide 2-methyl-5-[[(3R)-tetrahydrofura…

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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)	1.35	-0	-13.7	3	5	0	81	270.354	4	↓ MOL2 SDF SMILES Flexibase

52857525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(3S)-tetrahydrofuran-3-yl]methylamino]benzonitrile 5-chloro-2-[[(3S)-tetrahydrofura…

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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)	2.64	5.13	-6.5	1	3	0	45	236.702	3	↓ MOL2 SDF SMILES Flexibase

52857526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-[[(3R)-tetrahydrofuran-3-yl]methylamino]benzonitrile 5-chloro-2-[[(3R)-tetrahydrofura…

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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)	2.64	5.16	-7.05	1	3	0	45	236.702	3	↓ MOL2 SDF SMILES Flexibase

36335461

Analogs

37784627
37784628

Draw Identity 99% 90% 80% 70%

Popular Name: N1,N1-dimethyl-N4-[[(3S)-tetrahydrofuran-3-yl]methyl]benzene-1,4-diamine N1,N1-dimethyl-N4-[[(3S)-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	4.64	-4.89	1	3	0	24	220.316	4	↓ MOL2 SDF SMILES Flexibase

36335462

Analogs

37784627
37784628

Draw Identity 99% 90% 80% 70%

Popular Name: N1,N1-dimethyl-N4-[[(3R)-tetrahydrofuran-3-yl]methyl]benzene-1,4-diamine N1,N1-dimethyl-N4-[[(3R)-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	4.66	-4.84	1	3	0	24	220.316	4	↓ MOL2 SDF SMILES Flexibase

36970812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-nitro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]aniline 5-chloro-2-nitro-N-[[(3S)-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)	2.85	5.67	-6.11	1	5	0	67	256.689	4	↓ MOL2 SDF SMILES Flexibase

36970814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-2-nitro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]aniline 5-chloro-2-nitro-N-[[(3R)-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)	2.85	5.68	-6.54	1	5	0	67	256.689	4	↓ MOL2 SDF SMILES Flexibase

36972178

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(dimethylaminomethyl)-2-methoxy-N-[[(3S)-tetrahydrofuran-3-yl]methyl]aniline 5-(dimethylaminomethyl)-2-methox…

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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)	2.07	5.55	-37.51	2	4	1	35	265.377	6	↓ MOL2 SDF SMILES Flexibase

36972180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(dimethylaminomethyl)-2-methoxy-N-[[(3R)-tetrahydrofuran-3-yl]methyl]aniline 5-(dimethylaminomethyl)-2-methox…

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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)	2.07	5.56	-38.87	2	4	1	35	265.377	6	↓ MOL2 SDF SMILES Flexibase

36972687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-tetrahydrofuran-3-yl]methyl]-4-(2,2,2-trifluoroethoxy)aniline N-[[(3S)-tetrahydrofuran-3-yl]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)	3.26	4.9	-6.49	1	3	0	30	275.27	6	↓ MOL2 SDF SMILES Flexibase

36972689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-tetrahydrofuran-3-yl]methyl]-4-(2,2,2-trifluoroethoxy)aniline N-[[(3R)-tetrahydrofuran-3-yl]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)	3.26	4.92	-6.51	1	3	0	30	275.27	6	↓ MOL2 SDF SMILES Flexibase

36973386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(3S)-tetrahydrofuran-3-yl]methylamino]benzonitrile 2-chloro-5-[[(3S)-tetrahydrofura…

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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)	2.64	5.01	-7.72	1	3	0	45	236.702	3	↓ MOL2 SDF SMILES Flexibase

36973388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[[(3R)-tetrahydrofuran-3-yl]methylamino]benzonitrile 2-chloro-5-[[(3R)-tetrahydrofura…

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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)	2.64	5.04	-8.01	1	3	0	45	236.702	3	↓ MOL2 SDF SMILES Flexibase

36973734

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3S)-tetrahydrofuran-3-yl]methylamino]-3-(trifluoromethyl)benzonitrile 4-[[(3S)-tetrahydrofuran-3-yl]me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.86	5.83	-7.82	1	3	0	45	270.254	4	↓ MOL2 SDF SMILES Flexibase

36973736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(3R)-tetrahydrofuran-3-yl]methylamino]-3-(trifluoromethyl)benzonitrile 4-[[(3R)-tetrahydrofuran-3-yl]me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.86	5.85	-8.29	1	3	0	45	270.254	4	↓ MOL2 SDF SMILES Flexibase

36974756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-propyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]aniline 2-propyl-N-[[(3S)-tetrahydrofura…

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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)	3.54	6.54	-3.7	1	2	0	21	219.328	5	↓ MOL2 SDF SMILES Flexibase

36974758

Analogs

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Popular Name: 2-propyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]aniline 2-propyl-N-[[(3R)-tetrahydrofura…

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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)	3.54	6.56	-3.61	1	2	0	21	219.328	5	↓ MOL2 SDF SMILES Flexibase

36978874

Analogs

45686105
45686107

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-[[(3S)-tetrahydrofuran-3-yl]methylamino]benzenesulfonamide N-methyl-3-[[(3S)-tetrahydrofura…

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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)	1.33	0.4	-11.08	2	5	0	67	270.354	5	↓ MOL2 SDF SMILES Flexibase

36978876

Analogs

45686105
45686107
49354046
49354051
49354868

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-3-[[(3R)-tetrahydrofuran-3-yl]methylamino]benzenesulfonamide N-methyl-3-[[(3R)-tetrahydrofura…

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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)	1.33	0.41	-10.92	2	5	0	67	270.354	5	↓ MOL2 SDF SMILES Flexibase

37067989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-tetrahydrofuran-3-yl]methyl]-4-(trifluoromethylsulfanyl)aniline N-[[(3S)-tetrahydrofuran-3-yl]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)	6.26	5.71	-4.49	1	2	0	21	277.311	5	↓ MOL2 SDF SMILES Flexibase

37067991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-tetrahydrofuran-3-yl]methyl]-4-(trifluoromethylsulfanyl)aniline N-[[(3R)-tetrahydrofuran-3-yl]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)	6.26	5.74	-4.49	1	2	0	21	277.311	5	↓ MOL2 SDF SMILES Flexibase

37068422

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(3S)-tetrahydrofuran-3-yl]methylamino]phenyl]propanamide N-[4-[[(3S)-tetrahydrofuran-3-yl…

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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)	2.34	3.93	-10.77	2	4	0	50	248.326	5	↓ MOL2 SDF SMILES Flexibase

37068424

Analogs

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Popular Name: N-[4-[[(3R)-tetrahydrofuran-3-yl]methylamino]phenyl]propanamide N-[4-[[(3R)-tetrahydrofuran-3-yl…

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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)	2.34	3.95	-10.26	2	4	0	50	248.326	5	↓ MOL2 SDF SMILES Flexibase

37068724

Analogs

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Popular Name: N,N-dimethyl-2-[4-[[(3S)-tetrahydrofuran-3-yl]methylamino]phenyl]acetamide N,N-dimethyl-2-[4-[[(3S)-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)	1.37	5.13	-11.55	1	4	0	42	262.353	5	↓ MOL2 SDF SMILES Flexibase

37068726

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-2-[4-[[(3R)-tetrahydrofuran-3-yl]methylamino]phenyl]acetamide N,N-dimethyl-2-[4-[[(3R)-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)	1.37	5.14	-11.04	1	4	0	42	262.353	5	↓ MOL2 SDF SMILES Flexibase

37068998

Analogs

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Popular Name: 3-(2-dimethylaminoethyloxy)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]aniline 3-(2-dimethylaminoethyloxy)-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)	2.34	5.9	-35.91	2	4	1	35	265.377	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.34	3.43	-5.99	1	4	0	34	264.369	7	↓ MOL2 SDF SMILES Flexibase

37069000

Analogs

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Popular Name: 3-(2-dimethylaminoethyloxy)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]aniline 3-(2-dimethylaminoethyloxy)-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)	2.34	5.92	-35.69	2	4	1	35	265.377	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.34	3.45	-6.1	1	4	0	34	264.369	7	↓ MOL2 SDF SMILES Flexibase

37069371

Analogs

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Popular Name: 4-chloro-N-methyl-3-[[(3S)-tetrahydrofuran-3-yl]methylamino]benzamide 4-chloro-N-methyl-3-[[(3S)-tetra…

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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)	2.08	3.08	-9.68	2	4	0	50	268.744	4	↓ MOL2 SDF SMILES Flexibase

37069372

Analogs

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Popular Name: 4-chloro-N-methyl-3-[[(3R)-tetrahydrofuran-3-yl]methylamino]benzamide 4-chloro-N-methyl-3-[[(3R)-tetra…

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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)	2.08	3.1	-9.41	2	4	0	50	268.744	4	↓ MOL2 SDF SMILES Flexibase

37069700

Analogs

37777350
37777351
37777520
37777521
37780163

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[(3S)-tetrahydrofuran-3-yl]methylamino]phenoxy]acetonitrile 2-[3-[[(3S)-tetrahydrofuran-3-yl…

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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)	2.10	4.22	-9.82	1	4	0	54	232.283	5	↓ MOL2 SDF SMILES Flexibase

37069701

Analogs

37777350
37777351
37777520
37777521
37780163

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[[(3R)-tetrahydrofuran-3-yl]methylamino]phenoxy]acetonitrile 2-[3-[[(3R)-tetrahydrofuran-3-yl…

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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)	2.10	4.24	-9.92	1	4	0	54	232.283	5	↓ MOL2 SDF SMILES Flexibase

37070202

Analogs

70617069

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Popular Name: 4-chloro-3-fluoro-N-[[(3S)-tetrahydrofuran-3-yl]methyl]aniline 4-chloro-3-fluoro-N-[[(3S)-tetra…

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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	4.79	-5.67	1	2	0	21	229.682	3	↓ MOL2 SDF SMILES Flexibase

37070203

Analogs

70617069

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-fluoro-N-[[(3R)-tetrahydrofuran-3-yl]methyl]aniline 4-chloro-3-fluoro-N-[[(3R)-tetra…

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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	4.81	-5.63	1	2	0	21	229.682	3	↓ MOL2 SDF SMILES Flexibase

37071497

Analogs

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Popular Name: 2-[4-[[(3S)-tetrahydrofuran-3-yl]methylamino]phenyl]acetonitrile 2-[4-[[(3S)-tetrahydrofuran-3-yl…

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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	5.4	-9.06	1	3	0	45	216.284	4	↓ MOL2 SDF SMILES Flexibase

37071498

Analogs

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Popular Name: 2-[4-[[(3R)-tetrahydrofuran-3-yl]methylamino]phenyl]acetonitrile 2-[4-[[(3R)-tetrahydrofuran-3-yl…

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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	5.41	-9.41	1	3	0	45	216.284	4	↓ MOL2 SDF SMILES Flexibase

37071925

Analogs

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Popular Name: 2-[2-[[(3S)-tetrahydrofuran-3-yl]methylamino]phenyl]sulfanylacetamide 2-[2-[[(3S)-tetrahydrofuran-3-yl…

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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)	1.40	2.27	-11.43	3	4	0	64	266.366	6	↓ MOL2 SDF SMILES Flexibase

37071926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[[(3R)-tetrahydrofuran-3-yl]methylamino]phenyl]sulfanylacetamide 2-[2-[[(3R)-tetrahydrofuran-3-yl…

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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)	1.40	2.26	-11.64	3	4	0	64	266.366	6	↓ 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

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Embed Link to Results

<div id="zinc-link"></div>
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