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ZINC Item

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20121995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(4-chlorophenyl)-N-[[(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)	3.22	6.67	-47.69	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20121996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(4-chlorophenyl)-N-[[(3S)…

Find On: PubMed — Wikipedia — Google

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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)	3.22	6.67	-47.6	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20121997

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(4-chlorophenyl)-N-[[(3R)…

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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)	3.22	6.67	-47.14	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20121998

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(4-chlorophenyl)-N-[[(3R)…

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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)	3.22	6.67	-47.47	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20122832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]methanamine 1-(3,4-dimethoxyphenyl)-N-[[(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)	1.63	4.65	-51.79	2	4	1	44	252.334	6	↓ MOL2 SDF SMILES Flexibase

20122833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dimethoxyphenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]methanamine 1-(3,4-dimethoxyphenyl)-N-[[(3R)…

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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)	1.63	4.69	-52.21	2	4	1	44	252.334	6	↓ MOL2 SDF SMILES Flexibase

20124100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chlorophenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(2-chlorophenyl)-N-[[(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)	3.17	6.62	-42.99	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20124101

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chlorophenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(2-chlorophenyl)-N-[[(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)	3.17	6.61	-42.63	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20124102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(2-chlorophenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(2-chlorophenyl)-N-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	6.57	-43.51	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20124103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(2-chlorophenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(2-chlorophenyl)-N-[[(3R)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.17	6.55	-43.85	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20124290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-chlorophenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(3-chlorophenyl)-N-[[(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)	3.20	6.67	-47.21	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20124291

Analogs

53149914

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-chlorophenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(3-chlorophenyl)-N-[[(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)	3.20	6.67	-44.98	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20124292

Analogs

53149914

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-chlorophenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(3-chlorophenyl)-N-[[(3R)…

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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)	3.20	6.68	-46.37	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20124293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-chlorophenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(3-chlorophenyl)-N-[[(3R)…

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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)	3.20	6.69	-44.65	2	2	1	26	240.754	4	↓ MOL2 SDF SMILES Flexibase

20126068

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dichlorophenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(3,4-dichlorophenyl)-N-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	7.12	-49.7	2	2	1	26	275.199	4	↓ MOL2 SDF SMILES Flexibase

20126069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dichlorophenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(3,4-dichlorophenyl)-N-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	7.13	-49.55	2	2	1	26	275.199	4	↓ MOL2 SDF SMILES Flexibase

20126070

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3,4-dichlorophenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(3,4-dichlorophenyl)-N-[[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	7.14	-50.83	2	2	1	26	275.199	4	↓ MOL2 SDF SMILES Flexibase

20126071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3,4-dichlorophenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(3,4-dichlorophenyl)-N-[[…

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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)	3.83	7.11	-50.57	2	2	1	26	275.199	4	↓ MOL2 SDF SMILES Flexibase

20126282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(o-tolyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(o-tolyl)-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)	2.94	6.7	-42.6	2	2	1	26	220.336	4	↓ MOL2 SDF SMILES Flexibase

20126283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(o-tolyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(o-tolyl)-N-[[(3S)-tetrah…

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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)	2.94	6.7	-43.55	2	2	1	26	220.336	4	↓ MOL2 SDF SMILES Flexibase

20126284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(o-tolyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(o-tolyl)-N-[[(3R)-tetrah…

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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)	2.94	6.65	-43.43	2	2	1	26	220.336	4	↓ MOL2 SDF SMILES Flexibase

20126285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(o-tolyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(o-tolyl)-N-[[(3R)-tetrah…

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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)	2.94	6.69	-43.64	2	2	1	26	220.336	4	↓ MOL2 SDF SMILES Flexibase

20128643

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-1-[2-[[[(3S)-tetrahydrofuran-3-yl]methylamino]methyl]phenyl]methanamine N,N-dimethyl-1-[2-[[[(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)	1.74	7.98	-116.48	3	3	2	30	250.386	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.74	7.05	-37.56	2	3	1	29	249.378	6	↓ MOL2 SDF SMILES Flexibase

20128644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-dimethyl-1-[2-[[[(3R)-tetrahydrofuran-3-yl]methylamino]methyl]phenyl]methanamine N,N-dimethyl-1-[2-[[[(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)	1.74	7.49	-116.61	3	3	2	30	250.386	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.74	5.33	-42.99	2	3	1	29	249.378	6	↓ MOL2 SDF SMILES Flexibase

20129398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',N'-dimethyl-1-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethane-1,2-diamine (1S)-N',N'-dimethyl-1-phenyl-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)	2.20	7.58	-120.7	3	3	2	30	250.386	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.20	5.19	-44.98	2	3	1	29	249.378	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.20	6.33	-38.31	2	3	1	26	249.378	6	↓ MOL2 SDF SMILES Flexibase

20129399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',N'-dimethyl-1-phenyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethane-1,2-diamine (1R)-N',N'-dimethyl-1-phenyl-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)	2.20	7.57	-119.9	3	3	2	30	250.386	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.20	5.21	-44.66	2	3	1	29	249.378	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.20	6.32	-34.96	2	3	1	26	249.378	6	↓ MOL2 SDF SMILES Flexibase

20129400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N',N'-dimethyl-1-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethane-1,2-diamine (1S)-N',N'-dimethyl-1-phenyl-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)	2.20	7.59	-119.2	3	3	2	30	250.386	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.20	5.23	-44.29	2	3	1	29	249.378	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.20	6.35	-37.25	2	3	1	26	249.378	6	↓ MOL2 SDF SMILES Flexibase

20129401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N',N'-dimethyl-1-phenyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethane-1,2-diamine (1R)-N',N'-dimethyl-1-phenyl-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)	2.20	7.56	-118.92	3	3	2	30	250.386	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.20	5.19	-43.83	2	3	1	29	249.378	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.20	6.31	-33.98	2	3	1	26	249.378	6	↓ MOL2 SDF SMILES Flexibase

20129484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[2-[[[(3S)-tetrahydrofuran-3-yl]methylamino]methyl]phenyl]methyl]ethanamine N-ethyl-N-[[2-[[[(3S)-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)	2.49	8.6	-117.8	3	3	2	30	278.44	8	↓ MOL2 SDF SMILES Flexibase

20129485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-[[2-[[[(3R)-tetrahydrofuran-3-yl]methylamino]methyl]phenyl]methyl]ethanamine N-ethyl-N-[[2-[[[(3R)-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)	2.49	8.86	-112.24	3	3	2	30	278.44	8	↓ MOL2 SDF SMILES Flexibase

36968243

Analogs

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Popular Name: (1S)-1-(4-fluorophenyl)-2-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propan-1-amine (1S)-1-(4-fluorophenyl)-2-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)	3.45	7.27	-44.4	2	2	1	26	252.353	5	↓ MOL2 SDF SMILES Flexibase

36968245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-fluorophenyl)-2-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propan-1-amine (1R)-1-(4-fluorophenyl)-2-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)	3.45	7.08	-45.85	2	2	1	26	252.353	5	↓ MOL2 SDF SMILES Flexibase

36968247

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-fluorophenyl)-2-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propan-1-amine (1S)-1-(4-fluorophenyl)-2-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)	3.45	7.3	-45.85	2	2	1	26	252.353	5	↓ MOL2 SDF SMILES Flexibase

36968249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-fluorophenyl)-2-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propan-1-amine (1R)-1-(4-fluorophenyl)-2-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)	3.45	7.12	-46.69	2	2	1	26	252.353	5	↓ MOL2 SDF SMILES Flexibase

36975505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-2-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propan-1-amine (1S)-1-(4-chlorophenyl)-2-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)	3.97	7.72	-43.43	2	2	1	26	268.808	5	↓ MOL2 SDF SMILES Flexibase

36975507

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-2-methyl-N-[[(3S)-tetrahydrofuran-3-yl]methyl]propan-1-amine (1R)-1-(4-chlorophenyl)-2-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)	3.97	7.54	-44.89	2	2	1	26	268.808	5	↓ MOL2 SDF SMILES Flexibase

36975509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-chlorophenyl)-2-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propan-1-amine (1S)-1-(4-chlorophenyl)-2-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)	3.97	7.75	-44.84	2	2	1	26	268.808	5	↓ MOL2 SDF SMILES Flexibase

36975511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(4-chlorophenyl)-2-methyl-N-[[(3R)-tetrahydrofuran-3-yl]methyl]propan-1-amine (1R)-1-(4-chlorophenyl)-2-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)	3.97	7.57	-45.66	2	2	1	26	268.808	5	↓ MOL2 SDF SMILES Flexibase

37084611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(difluoromethoxy)phenyl]-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-[2-(difluoromethoxy)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)	3.11	5.72	-44.71	2	3	1	35	272.315	6	↓ MOL2 SDF SMILES Flexibase

37084612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(difluoromethoxy)phenyl]-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-[2-(difluoromethoxy)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)	3.11	5.68	-44.91	2	3	1	35	272.315	6	↓ MOL2 SDF SMILES Flexibase

37084613

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-[2-(difluoromethoxy)phenyl]-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-[2-(difluoromethoxy)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)	3.11	5.73	-45.78	2	3	1	35	272.315	6	↓ MOL2 SDF SMILES Flexibase

37084614

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-[2-(difluoromethoxy)phenyl]-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-[2-(difluoromethoxy)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)	3.11	5.71	-45.35	2	3	1	35	272.315	6	↓ MOL2 SDF SMILES Flexibase

37089967

Analogs

49341997
49341998
49341999
49342000

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-fluoro-2-methoxy-phenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(5-fluoro-2-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)	2.69	5.5	-41.31	2	3	1	35	254.325	5	↓ MOL2 SDF SMILES Flexibase

37089968

Analogs

49341997
49341998
49341999
49342000

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(5-fluoro-2-methoxy-phenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(5-fluoro-2-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)	2.69	5.46	-41.36	2	3	1	35	254.325	5	↓ MOL2 SDF SMILES Flexibase

37089969

Analogs

49341997
49341998
49341999
49342000

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(5-fluoro-2-methoxy-phenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(5-fluoro-2-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)	2.69	5.52	-42.27	2	3	1	35	254.325	5	↓ MOL2 SDF SMILES Flexibase

37089970

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.69	5.49	-42.05	2	3	1	35	254.325	5	↓ MOL2 SDF SMILES Flexibase

37105988

Analogs

49340983
49340984
49340985
49340986

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromo-4-methoxy-phenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(3-bromo-4-methoxy-phenyl…

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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)	3.34	5.96	-47.41	2	3	1	35	315.231	5	↓ MOL2 SDF SMILES Flexibase

37105989

Analogs

49340983
49340984
49340985
49340986

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromo-4-methoxy-phenyl)-N-[[(3S)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(3-bromo-4-methoxy-phenyl…

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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)	3.34	5.95	-47.9	2	3	1	35	315.231	5	↓ MOL2 SDF SMILES Flexibase

37105990

Analogs

49340983
49340984
49340985
49340986

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(3-bromo-4-methoxy-phenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1S)-1-(3-bromo-4-methoxy-phenyl…

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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)	3.34	5.98	-48.66	2	3	1	35	315.231	5	↓ MOL2 SDF SMILES Flexibase

37105991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(3-bromo-4-methoxy-phenyl)-N-[[(3R)-tetrahydrofuran-3-yl]methyl]ethanamine (1R)-1-(3-bromo-4-methoxy-phenyl…

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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)	3.34	5.97	-48.24	2	3	1	35	315.231	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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