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52375209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methanamine [2-[[(2R)-2-ethylpyrrolidin-1-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)	2.69	7.82	-112.5	4	3	2	45	260.381	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	7.25	-29.15	3	3	1	44	259.373	4	↓ MOL2 SDF SMILES Flexibase

52375211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methanamine [2-[[(2S)-2-ethylpyrrolidin-1-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)	2.69	7.48	-112.18	4	3	2	45	260.381	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.69	7.08	-30.61	3	3	1	44	259.373	4	↓ MOL2 SDF SMILES Flexibase

52375270

Analogs

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Popular Name: 1-[2-[[(2R)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-3-yl]-N-methyl-methanamine 1-[2-[[(2R)-2-ethylpyrrolidin-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	9.65	-105.52	3	3	2	34	274.408	5	↓ MOL2 SDF SMILES Flexibase

52375271

Analogs

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Popular Name: 1-[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-3-yl]-N-methyl-methanamine 1-[2-[[(2S)-2-ethylpyrrolidin-1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	9.35	-105.69	3	3	2	34	274.408	5	↓ MOL2 SDF SMILES Flexibase

52375273

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	10.47	-104.91	3	3	2	34	288.435	6	↓ MOL2 SDF SMILES Flexibase

52375275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(2S)-2-ethylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]ethanamine N-[[2-[[(2S)-2-ethylpyrrolidin-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.44	10.21	-105.85	3	3	2	34	288.435	6	↓ MOL2 SDF SMILES Flexibase

52375959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methanamine [2-[[(2R)-2-methylpyrrolidin-1-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)	2.15	7.03	-114.74	4	3	2	45	246.354	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.15	6.44	-30.07	3	3	1	44	245.346	3	↓ MOL2 SDF SMILES Flexibase

52375960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methanamine [2-[[(2S)-2-methylpyrrolidin-1-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)	2.15	6.76	-114.12	4	3	2	45	246.354	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.15	6.36	-31.57	3	3	1	44	245.346	3	↓ MOL2 SDF SMILES Flexibase

52376014

Analogs

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Popular Name: N-methyl-1-[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methanamine N-methyl-1-[2-[[(2R)-2-methylpyr…

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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	8.9	-108.05	3	3	2	34	260.381	4	↓ MOL2 SDF SMILES Flexibase

52376016

Analogs

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Popular Name: N-methyl-1-[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methanamine N-methyl-1-[2-[[(2S)-2-methylpyr…

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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	8.64	-107.74	3	3	2	34	260.381	4	↓ MOL2 SDF SMILES Flexibase

52376017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]ethanamine N-[[2-[[(2S)-2-methylpyrrolidin-…

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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)	2.90	9.58	-107.51	3	3	2	34	274.408	5	↓ MOL2 SDF SMILES Flexibase

52376019

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.90	9.63	-108.93	3	3	2	34	274.408	5	↓ MOL2 SDF SMILES Flexibase

52376021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]propan-1-amine N-[[2-[[(2S)-2-methylpyrrolidin-…

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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)	3.40	10.32	-109.41	3	3	2	34	288.435	6	↓ MOL2 SDF SMILES Flexibase

52376023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]propan-1-amine N-[[2-[[(2R)-2-methylpyrrolidin-…

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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)	3.40	10.38	-111.05	3	3	2	34	288.435	6	↓ MOL2 SDF SMILES Flexibase

52376025

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(2R)-2-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]propan-2-amine N-[[2-[[(2R)-2-methylpyrrolidin-…

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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	10.28	-107.11	3	3	2	34	288.435	5	↓ MOL2 SDF SMILES Flexibase

52376026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(2S)-2-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]propan-2-amine N-[[2-[[(2S)-2-methylpyrrolidin-…

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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	10.01	-107.34	3	3	2	34	288.435	5	↓ MOL2 SDF SMILES Flexibase

52377461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(pyrrolidin-1-ylmethyl)benzofuran-3-yl]methanamine [2-(pyrrolidin-1-ylmethyl)benzof…

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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	6.4	-117.81	4	3	2	45	232.327	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.82	6.01	-36.16	3	3	1	44	231.319	3	↓ MOL2 SDF SMILES Flexibase

52377502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-(pyrrolidin-1-ylmethyl)benzofuran-3-yl]methanamine N-methyl-1-[2-(pyrrolidin-1-ylme…

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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)	2.19	8.08	-109.5	3	3	2	34	246.354	4	↓ MOL2 SDF SMILES Flexibase

52377504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(pyrrolidin-1-ylmethyl)benzofuran-3-yl]methyl]ethanamine N-[[2-(pyrrolidin-1-ylmethyl)ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.57	8.94	-109.9	3	3	2	34	260.381	5	↓ MOL2 SDF SMILES Flexibase

52377506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(pyrrolidin-1-ylmethyl)benzofuran-3-yl]methyl]propan-1-amine N-[[2-(pyrrolidin-1-ylmethyl)ben…

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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	9.69	-111.77	3	3	2	34	274.408	6	↓ MOL2 SDF SMILES Flexibase

52377508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(pyrrolidin-1-ylmethyl)benzofuran-3-yl]methyl]propan-2-amine N-[[2-(pyrrolidin-1-ylmethyl)ben…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	9.45	-107.69	3	3	2	34	274.408	5	↓ MOL2 SDF SMILES Flexibase

52377528

Analogs

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Popular Name: 2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)benzofuran-3-yl]methyl]propan-2-amine 2-methyl-N-[[2-(pyrrolidin-1-ylm…

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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)	3.38	9.89	-106.66	3	3	2	34	288.435	5	↓ MOL2 SDF SMILES Flexibase

52377529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[[2-(pyrrolidin-1-ylmethyl)benzofuran-3-yl]methyl]propan-1-amine 2-methyl-N-[[2-(pyrrolidin-1-ylm…

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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)	3.32	10.39	-112.39	3	3	2	34	288.435	6	↓ MOL2 SDF SMILES Flexibase

52484528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methanamine [2-[[(3R)-3-methylpyrrolidin-1-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)	2.30	6.77	-117.35	4	3	2	45	246.354	3	↓ MOL2 SDF SMILES Flexibase

52484529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methanamine [2-[[(3S)-3-methylpyrrolidin-1-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)	2.30	6.77	-117.26	4	3	2	45	246.354	3	↓ MOL2 SDF SMILES Flexibase

52484562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methanamine N-methyl-1-[2-[[(3R)-3-methylpyr…

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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)	2.67	8.64	-111.15	3	3	2	34	260.381	4	↓ MOL2 SDF SMILES Flexibase

52484563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-1-[2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methanamine N-methyl-1-[2-[[(3S)-3-methylpyr…

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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)	2.67	8.64	-111	3	3	2	34	260.381	4	↓ MOL2 SDF SMILES Flexibase

52484564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]ethanamine N-[[2-[[(3S)-3-methylpyrrolidin-…

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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	9.54	-110.95	3	3	2	34	274.408	5	↓ MOL2 SDF SMILES Flexibase

52484565

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	9.56	-111.54	3	3	2	34	274.408	5	↓ MOL2 SDF SMILES Flexibase

52484566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]propan-1-amine N-[[2-[[(3S)-3-methylpyrrolidin-…

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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)	3.55	10.29	-112.81	3	3	2	34	288.435	6	↓ MOL2 SDF SMILES Flexibase

52484567

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]propan-1-amine N-[[2-[[(3R)-3-methylpyrrolidin-…

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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)	3.55	10.3	-113.5	3	3	2	34	288.435	6	↓ MOL2 SDF SMILES Flexibase

52484568

Analogs

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Popular Name: N-[[2-[[(3R)-3-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]propan-2-amine N-[[2-[[(3R)-3-methylpyrrolidin-…

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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	10.02	-109.28	3	3	2	34	288.435	5	↓ MOL2 SDF SMILES Flexibase

52484569

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-[[(3S)-3-methylpyrrolidin-1-yl]methyl]benzofuran-3-yl]methyl]propan-2-amine N-[[2-[[(3S)-3-methylpyrrolidin-…

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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	10.02	-109.08	3	3	2	34	288.435	5	↓ MOL2 SDF SMILES Flexibase

62966262

Analogs

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Popular Name: 2-[[(3R)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzofuran-3-carboxylic 2-[[(3R)-3-(dimethylamino)pyrrol…

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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)	1.96	7.35	-69.49	1	5	0	61	288.347	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	7.33	-41.01	1	5	0	61	288.347	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.96	9.72	-96.11	2	5	1	62	289.355	4	↓ MOL2 SDF SMILES Flexibase

62966263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[(3S)-3-(dimethylamino)pyrrolidin-1-yl]methyl]benzofuran-3-carboxylic 2-[[(3S)-3-(dimethylamino)pyrrol…

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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)	1.96	7.34	-68.26	1	5	0	61	288.347	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.96	7.4	-40.66	1	5	0	61	288.347	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.96	9.8	-95.18	2	5	1	62	289.355	4	↓ MOL2 SDF SMILES Flexibase

62971777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3R)-1-[[3-(aminomethyl)benzofur…

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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)	1.57	4.88	-100.78	4	4	2	48	275.396	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.57	4.44	-34.9	3	4	1	47	274.388	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.57	4.86	-119.71	4	4	2	48	275.396	4	↓ MOL2 SDF SMILES Flexibase

62971778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-[[3-(aminomethyl)benzofuran-2-yl]methyl]-N,N-dimethyl-pyrrolidin-3-amine (3S)-1-[[3-(aminomethyl)benzofur…

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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)	1.57	4.85	-101.58	4	4	2	48	275.396	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.57	4.5	-33.07	3	4	1	47	274.388	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.57	5.07	-122.08	4	4	2	48	275.396	4	↓ MOL2 SDF SMILES Flexibase

62971811

Analogs

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Popular Name: (3S)-N,N-dimethyl-1-[[3-(methylaminomethyl)benzofuran-2-yl]methyl]pyrrolidin-3-amine (3S)-N,N-dimethyl-1-[[3-(methyla…

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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)	1.94	6.66	-95.81	3	4	2	37	289.423	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.94	6.91	-114.65	3	4	2	37	289.423	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.94	9.31	-208.23	4	4	3	39	290.431	5	↓ MOL2 SDF SMILES Flexibase

62971812

Analogs

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Popular Name: (3R)-N,N-dimethyl-1-[[3-(methylaminomethyl)benzofuran-2-yl]methyl]pyrrolidin-3-amine (3R)-N,N-dimethyl-1-[[3-(methyla…

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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)	1.94	6.72	-95.43	3	4	2	37	289.423	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.94	6.82	-113.47	3	4	2	37	289.423	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.94	9.21	-205.38	4	4	3	39	290.431	5	↓ MOL2 SDF SMILES Flexibase

67432238

Analogs

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Popular Name: N-[[(3R)-1-[(3,5-dimethylbenzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxy-acetamide N-[[(3R)-1-[(3,5-dimethylbenzofu…

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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	8.37	-49.19	2	5	1	56	331.436	6	↓ MOL2 SDF SMILES Flexibase

67432242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-[(3,5-dimethylbenzofuran-2-yl)methyl]pyrrolidin-3-yl]methyl]-2-methoxy-acetamide N-[[(3S)-1-[(3,5-dimethylbenzofu…

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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	8.63	-49.71	2	5	1	56	331.436	6	↓ MOL2 SDF SMILES Flexibase

67935226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-amino-1-[(3,5-dimethylbenzofuran-2-yl)methyl]pyrrolidine-3-carboxylic (3R)-3-amino-1-[(3,5-dimethylben…

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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)	-0.03	6.97	-79.67	4	5	1	85	289.355	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.03	4.5	-36.08	3	5	0	84	288.347	3	↓ MOL2 SDF SMILES Flexibase

67935227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-amino-1-[(3,5-dimethylbenzofuran-2-yl)methyl]pyrrolidine-3-carboxylic (3S)-3-amino-1-[(3,5-dimethylben…

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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)	-0.03	7.27	-82.19	4	5	1	85	289.355	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.03	4.8	-42.06	3	5	0	84	288.347	3	↓ MOL2 SDF SMILES Flexibase

67983012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3S)-1-(benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide N-[[(3S)-1-(benzofuran-2-ylmethy…

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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)	2.51	7.61	-102.65	4	5	2	63	331.46	6	↓ MOL2 SDF SMILES Flexibase

67983013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[(3R)-1-(benzofuran-2-ylmethyl)pyrrolidin-3-yl]methyl]-2-methyl-2-(methylamino)propanamide N-[[(3R)-1-(benzofuran-2-ylmethy…

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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)	2.51	7.58	-103.28	4	5	2	63	331.46	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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