ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

11813614

Analogs

11813615

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	3.08	-1.49	-18.88	2	7	0	94	430.888	7	↓ MOL2 SDF SMILES Flexibase

11813615

Analogs

11813614

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	3.08	-1.53	-18.05	2	7	0	94	430.888	7	↓ MOL2 SDF SMILES Flexibase

11841967

Analogs

11841969

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	1.82	-3.59	-19.25	1	7	0	99	417.483	8	↓ MOL2 SDF SMILES Flexibase

11841969

Analogs

11841967

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	1.82	-3.54	-19.22	1	7	0	99	417.483	8	↓ MOL2 SDF SMILES Flexibase

11976184

Analogs

11976189

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-pentanamide (2S)-2-acetamido-N-[[(2S)-5-(2-a…

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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)	3.49	-1.01	-21.2	2	6	0	85	422.525	8	↓ MOL2 SDF SMILES Flexibase

11976189

Analogs

11976184

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-4-methyl-pentanamide (2S)-2-acetamido-N-[[(2R)-5-(2-a…

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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)	3.49	-0.95	-20.4	2	6	0	85	422.525	8	↓ MOL2 SDF SMILES Flexibase

11980026

Analogs

11980032

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide N-[[(2S)-5-(4-methylsulfonylphen…

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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)	3.16	-4.41	-18.01	1	5	0	72	373.474	6	↓ MOL2 SDF SMILES Flexibase

11980032

Analogs

11980026

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide N-[[(2R)-5-(4-methylsulfonylphen…

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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)	3.16	-4.36	-18.18	1	5	0	72	373.474	6	↓ MOL2 SDF SMILES Flexibase

11982955

Analogs

11982962

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]acetamide 2-methoxy-N-[[(2S)-5-(4-methylsu…

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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)	1.71	-4.72	-21.17	1	6	0	82	375.446	6	↓ MOL2 SDF SMILES Flexibase

11982962

Analogs

11982955

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]acetamide 2-methoxy-N-[[(2R)-5-(4-methylsu…

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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)	1.71	-4.67	-21.33	1	6	0	82	375.446	6	↓ MOL2 SDF SMILES Flexibase

12002045

Analogs

12002049

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetamido-N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]propanamide 3-acetamido-N-[[(2S)-5-(2-acetyl…

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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	-2.69	-22.26	2	6	0	85	380.444	7	↓ MOL2 SDF SMILES Flexibase

12002049

Analogs

12002045

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetamido-N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]propanamide 3-acetamido-N-[[(2R)-5-(2-acetyl…

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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	-2.76	-23.53	2	6	0	85	380.444	7	↓ MOL2 SDF SMILES Flexibase

12034553

Analogs

12034555
14961175
14961179

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2,2-dimethyl-propanamid N-[[(2R)-7-chloro-5-(2,5-dimetho…

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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)	5.53	0	-11.78	1	5	0	57	403.906	6	↓ MOL2 SDF SMILES Flexibase

12034555

Analogs

14961175
14961179
12034553

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2,2-dimethyl-propanamid N-[[(2S)-7-chloro-5-(2,5-dimetho…

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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)	5.53	-0.06	-11.96	1	5	0	57	403.906	6	↓ MOL2 SDF SMILES Flexibase

12037066

Analogs

12037069
12037073
12037076
14956216
14956226

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-butanamid (2R)-N-[[(2S)-7-chloro-5-(2,5-di…

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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)	5.12	-0.33	-11.75	1	5	0	57	403.906	7	↓ MOL2 SDF SMILES Flexibase

12037069

Analogs

12037073
12037076
14956216
14956226
14997597

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-butanamid (2S)-N-[[(2S)-7-chloro-5-(2,5-di…

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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)	5.12	-0.33	-11.82	1	5	0	57	403.906	7	↓ MOL2 SDF SMILES Flexibase

12037073

Analogs

12037076
14956216
14956226
14997597
14997600

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-butanamid (2R)-N-[[(2R)-7-chloro-5-(2,5-di…

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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)	5.12	-0.31	-11.81	1	5	0	57	403.906	7	↓ MOL2 SDF SMILES Flexibase

12037076

Analogs

14956216
14956226
14997597
14997600
12037066

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-methyl-butanamid (2S)-N-[[(2R)-7-chloro-5-(2,5-di…

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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)	5.12	-0.33	-11.86	1	5	0	57	403.906	7	↓ MOL2 SDF SMILES Flexibase

12039350

Analogs

12039352

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-but-2-enamide N-[[(2S)-5-(2-acetylphenyl)-2,3-…

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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)	4.38	0.05	-13.28	1	4	0	55	349.43	5	↓ MOL2 SDF SMILES Flexibase

12039352

Analogs

12039350

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-5-(2-acetylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methyl-but-2-enamide N-[[(2R)-5-(2-acetylphenyl)-2,3-…

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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)	4.38	0.07	-13.42	1	4	0	55	349.43	5	↓ MOL2 SDF SMILES Flexibase

12041405

Analogs

12041408

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methylsulfanyl-propan N-[[(2R)-7-chloro-5-(2,5-dimetho…

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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	-1.28	-11.81	1	5	0	57	421.946	8	↓ MOL2 SDF SMILES Flexibase

12041408

Analogs

12041405

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-3-methylsulfanyl-propan N-[[(2S)-7-chloro-5-(2,5-dimetho…

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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	-1.28	-11.93	1	5	0	57	421.946	8	↓ MOL2 SDF SMILES Flexibase

12210741

Analogs

12210748
12210756
12210762

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-oxo-pentanami (3R)-3-methyl-N-[[(2S)-5-(4-meth…

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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)	2.52	-3.86	-16.17	1	6	0	90	415.511	7	↓ MOL2 SDF SMILES Flexibase

12210748

Analogs

12210756
12210762
12210741

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[[(2S)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-oxo-pentanami (3S)-3-methyl-N-[[(2S)-5-(4-meth…

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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)	2.52	-3.86	-16.13	1	6	0	90	415.511	7	↓ MOL2 SDF SMILES Flexibase

12210756

Analogs

12210762
12210741
12210748

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-methyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-oxo-pentanami (3R)-3-methyl-N-[[(2R)-5-(4-meth…

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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)	2.52	-3.81	-16.18	1	6	0	90	415.511	7	↓ MOL2 SDF SMILES Flexibase

12210762

Analogs

12210741
12210748

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-methyl-N-[[(2R)-5-(4-methylsulfonylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-oxo-pentanami (3S)-3-methyl-N-[[(2R)-5-(4-meth…

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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)	2.52	-3.81	-16.3	1	6	0	90	415.511	7	↓ MOL2 SDF SMILES Flexibase

12217565

Analogs

12217566

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-dimethylamino-acetami N-[[(2R)-7-chloro-5-(2,5-dimetho…

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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)	4.03	-0.3	-41.26	2	6	1	61	405.902	7	↓ MOL2 SDF SMILES Flexibase

12217566

Analogs

12217565

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]-2-dimethylamino-acetami N-[[(2S)-7-chloro-5-(2,5-dimetho…

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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)	4.03	-0.29	-41.67	2	6	1	61	405.902	7	↓ MOL2 SDF SMILES Flexibase

12217991

Analogs

12217992

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]pent-4-enamide N-[[(2R)-7-chloro-5-(2,5-dimetho…

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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)	4.92	-0.27	-12.11	1	5	0	57	401.89	8	↓ MOL2 SDF SMILES Flexibase

12217992

Analogs

12217991

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]pent-4-enamide N-[[(2S)-7-chloro-5-(2,5-dimetho…

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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)	4.92	-0.28	-12.08	1	5	0	57	401.89	8	↓ MOL2 SDF SMILES Flexibase

12218164

Analogs

12218165
12218166
12218167

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide (2R)-2-methyl-N-[[(2S)-5-(4-meth…

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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)	4.91	-0.73	-10.61	1	3	0	38	355.503	6	↓ MOL2 SDF SMILES Flexibase

12218165

Analogs

12218166
12218167
12218164

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-N-[[(2S)-5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide (2S)-2-methyl-N-[[(2S)-5-(4-meth…

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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)	4.91	-0.73	-10.65	1	3	0	38	355.503	6	↓ MOL2 SDF SMILES Flexibase

12218166

Analogs

12218167
12218164
12218165

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Popular Name: (2R)-2-methyl-N-[[(2R)-5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide (2R)-2-methyl-N-[[(2R)-5-(4-meth…

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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)	4.91	-0.67	-10.35	1	3	0	38	355.503	6	↓ MOL2 SDF SMILES Flexibase

12218167

Analogs

12218164
12218165

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-N-[[(2R)-5-(4-methylsulfanylphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]butanamide (2S)-2-methyl-N-[[(2R)-5-(4-meth…

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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)	4.91	-0.67	-10.33	1	3	0	38	355.503	6	↓ MOL2 SDF SMILES Flexibase

12218773

Analogs

12218774

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Popular Name: (2S)-2-acetamido-N-[[(2R)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]propana (2S)-2-acetamido-N-[[(2R)-7-chlo…

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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)	2.98	-2.48	-15.24	2	7	0	86	432.904	7	↓ MOL2 SDF SMILES Flexibase

12218774

Analogs

12218773

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-acetamido-N-[[(2S)-7-chloro-5-(2,5-dimethoxyphenyl)-2,3-dihydrobenzofuran-2-yl]methyl]propana (2S)-2-acetamido-N-[[(2S)-7-chlo…

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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)	2.98	-2.46	-14.28	2	7	0	86	432.904	7	↓ MOL2 SDF SMILES Flexibase

57931950

Analogs

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Popular Name: N-[[4-(2,3-dihydrobenzofuran-5-yl)phenyl]methyl]methanesulfonamide N-[[4-(2,3-dihydrobenzofuran-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.69	4.57	-15.05	1	4	0	55	303.383	4	↓ MOL2 SDF SMILES Flexibase

57931954

Analogs

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Popular Name: N-[[4-(2,3-dihydrobenzofuran-5-yl)phenyl]methyl]ethanesulfonamide N-[[4-(2,3-dihydrobenzofuran-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	5.45	-14.49	1	4	0	55	317.41	5	↓ MOL2 SDF SMILES Flexibase

57931957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2,3-dihydrobenzofuran-5-yl)phenyl]methyl]propane-1-sulfonamide N-[[4-(2,3-dihydrobenzofuran-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	6.25	-14.35	1	4	0	55	331.437	6	↓ MOL2 SDF SMILES Flexibase

57931972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-[(dimethylsulfamoylamino)methyl]phenyl]-2,3-dihydrobenzofuran 5-[4-[(dimethylsulfamoylamino)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)	2.70	4.95	-12.78	1	5	0	59	332.425	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.70	4.54	-44.88	0	5	-1	61	331.417	5	↓ MOL2 SDF SMILES Flexibase

57987770

Analogs

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Popular Name: 1-[[4-(2,3-dihydrobenzofuran-5-yl)phenyl]methyl]-3-(2,2,2-trifluoroethyl)urea 1-[[4-(2,3-dihydrobenzofuran-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	6.73	-9.85	2	4	0	50	350.34	5	↓ MOL2 SDF SMILES Flexibase

58342759

Analogs

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Popular Name: N-[[4-(2,3-dihydrobenzofuran-5-yl)phenyl]methyl]acetamide N-[[4-(2,3-dihydrobenzofuran-5-y…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.68	6.78	-10.49	1	3	0	38	267.328	3	↓ MOL2 SDF SMILES Flexibase

58343732

Analogs

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Popular Name: methyl 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)	2.77	4.68	-11.84	2	6	0	77	340.379	6	↓ MOL2 SDF SMILES Flexibase

60021127

Analogs

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Popular Name: (2R)-5-(4-acetamidophenyl)-N-allyl-2,3-dihydrobenzofuran-2-carboxamide (2R)-5-(4-acetamidophenyl)-N-all…

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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)	2.71	7.36	-19.65	2	5	0	67	336.391	5	↓ MOL2 SDF SMILES Flexibase

60021129

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-(4-acetamidophenyl)-N-allyl-2,3-dihydrobenzofuran-2-carboxamide (2S)-5-(4-acetamidophenyl)-N-all…

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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)	2.71	7.42	-20.76	2	5	0	67	336.391	5	↓ MOL2 SDF SMILES Flexibase

60021131

Analogs

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Popular Name: (2R)-5-[4-[(1S)-1-hydroxyethyl]phenyl]-2,3-dihydrobenzofuran-2-carboxylic (2R)-5-[4-[(1S)-1-hydroxyethyl]p…

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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	7.32	-49.98	1	4	-1	70	283.303	3	↓ MOL2 SDF SMILES Flexibase

60021132

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2,3-dihydrobenzofuran-2-carboxylic (2R)-5-[4-[(1R)-1-hydroxyethyl]p…

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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	7.29	-49.92	1	4	-1	70	283.303	3	↓ MOL2 SDF SMILES Flexibase

60021133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-[4-[(1S)-1-hydroxyethyl]phenyl]-2,3-dihydrobenzofuran-2-carboxylic (2S)-5-[4-[(1S)-1-hydroxyethyl]p…

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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	7.32	-49.95	1	4	-1	70	283.303	3	↓ MOL2 SDF SMILES Flexibase

60021134

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-5-[4-[(1R)-1-hydroxyethyl]phenyl]-2,3-dihydrobenzofuran-2-carboxylic (2S)-5-[4-[(1R)-1-hydroxyethyl]p…

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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	7.29	-49.97	1	4	-1	70	283.303	3	↓ MOL2 SDF SMILES Flexibase

60021136

Analogs

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Popular Name: ethyl ethyl

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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	9.01	-15.47	1	5	0	65	325.364	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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