ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36863157

Analogs

42811377
42811381
43423307
43423308
43423309

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-[(1S)-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)	1.21	4.01	-7.1	3	5	0	69	265.357	4	↓ MOL2 SDF SMILES Flexibase

36863158

Analogs

43423307
43423308
43423309
43423310

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-[(1R)-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)	1.21	3.45	-7.16	3	5	0	69	265.357	4	↓ MOL2 SDF SMILES Flexibase

36863159

Analogs

42811377
42811381
43423307
43423308
43423309

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-[(1S)-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)	1.21	3.45	-7.11	3	5	0	69	265.357	4	↓ MOL2 SDF SMILES Flexibase

36863160

Analogs

42811377
42811381
43423307
43423308
43423309

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-[(1R)-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)	1.21	3.99	-6.82	3	5	0	69	265.357	4	↓ MOL2 SDF SMILES Flexibase

36863161

Analogs

43423291
43423292
43423293
43423294

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1S)-1-[(2S)-tetrahyd…

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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)	0.40	0.91	-9.47	4	5	0	80	223.276	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.04	-0.94	-50.83	4	5	1	78	224.284	3	↓ MOL2 SDF SMILES Flexibase

36863162

Analogs

43423291
43423292
43423293
43423294

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1R)-1-[(2S)-tetrahyd…

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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)	0.40	0.37	-9.19	4	5	0	80	223.276	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.04	-1.47	-50.17	4	5	1	78	224.284	3	↓ MOL2 SDF SMILES Flexibase

36863163

Analogs

43423291
43423292
43423293
43423294

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1S)-1-[(2R)-tetrahyd…

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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)	0.40	0.35	-9.11	4	5	0	80	223.276	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.04	-1.49	-50.15	4	5	1	78	224.284	3	↓ MOL2 SDF SMILES Flexibase

36863164

Analogs

43423291
43423292
43423293
43423294

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1R)-1-[(2R)-tetrahyd…

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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)	0.40	0.9	-9.12	4	5	0	80	223.276	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.04	-0.94	-50.53	4	5	1	78	224.284	3	↓ MOL2 SDF SMILES Flexibase

36863165

Analogs

42811360
42811364

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(1S)-1-[(2S)-…

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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)	0.84	3.41	-7.07	3	5	0	69	251.33	4	↓ MOL2 SDF SMILES Flexibase

36863166

Analogs

42811360
42811364

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(1R)-1-[(2S)-…

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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)	0.84	2.87	-7.26	3	5	0	69	251.33	4	↓ MOL2 SDF SMILES Flexibase

36863167

Analogs

42811360
42811364

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(1S)-1-[(2R)-…

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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)	0.84	2.88	-7.1	3	5	0	69	251.33	4	↓ MOL2 SDF SMILES Flexibase

36863168

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-[(1R)-1-[(2R)-…

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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)	0.84	3.42	-6.98	3	5	0	69	251.33	4	↓ MOL2 SDF SMILES Flexibase

36863173

Analogs

42811346
42811350

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[(1S)-1-[(2S)…

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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)	0.47	2.56	-7.46	3	5	0	69	237.303	3	↓ MOL2 SDF SMILES Flexibase

36863174

Analogs

42811346
42811350

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[(1R)-1-[(2S)…

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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)	0.47	2.03	-7.43	3	5	0	69	237.303	3	↓ MOL2 SDF SMILES Flexibase

36863175

Analogs

42811346
42811350

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[(1S)-1-[(2R)…

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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)	0.47	1.99	-7.41	3	5	0	69	237.303	3	↓ MOL2 SDF SMILES Flexibase

36863176

Analogs

42811346
42811350

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-methyl-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-methyl-N-[(1R)-1-[(2R)…

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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)	0.47	2.56	-7.14	3	5	0	69	237.303	3	↓ MOL2 SDF SMILES Flexibase

36863177

Analogs

42811369
42811373
43423303
43423304
43423305

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-propyl-N-[(1S)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-propyl-N-[(1S)-1-[(2S)…

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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	4.27	-6.82	3	5	0	69	265.357	5	↓ MOL2 SDF SMILES Flexibase

36863178

Analogs

42811369
42811373
43423303
43423304
43423305

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-propyl-N-[(1R)-1-[(2S)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-propyl-N-[(1R)-1-[(2S)…

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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	3.65	-7.07	3	5	0	69	265.357	5	↓ MOL2 SDF SMILES Flexibase

36863179

Analogs

42811369
42811373
43423303
43423304
43423305

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-propyl-N-[(1S)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-propyl-N-[(1S)-1-[(2R)…

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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	3.64	-6.96	3	5	0	69	265.357	5	↓ MOL2 SDF SMILES Flexibase

36863180

Analogs

42811369
42811373
43423303
43423304
43423305

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-propyl-N-[(1R)-1-[(2R)-tetrahydrofuran-2-yl]ethyl]pyrrole-2-carboxamide 4-amino-1-propyl-N-[(1R)-1-[(2R)…

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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	4.15	-6.8	3	5	0	69	265.357	5	↓ MOL2 SDF SMILES Flexibase

48946459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-1-propyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-N-methyl-1-propyl-N-[[(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	4.73	-8.44	2	5	0	61	265.357	5	↓ MOL2 SDF SMILES Flexibase

48946460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-1-propyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-N-methyl-1-propyl-N-[[(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.26	5.01	-10.98	2	5	0	61	265.357	5	↓ MOL2 SDF SMILES Flexibase

48946461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-methyl-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)	1.12	4.47	-8.69	2	5	0	61	265.357	4	↓ MOL2 SDF SMILES Flexibase

48946462

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-isopropyl-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-1-isopropyl-N-methyl-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)	1.12	4.51	-11.65	2	5	0	61	265.357	4	↓ MOL2 SDF SMILES Flexibase

48950327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-methyl-1-propyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-N-methyl-1-propyl-N-[[(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	7.49	-7.16	0	4	0	34	329.238	5	↓ MOL2 SDF SMILES Flexibase

48950329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-methyl-1-propyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-N-methyl-1-propyl-N-[[(2…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	7.78	-9.55	0	4	0	34	329.238	5	↓ MOL2 SDF SMILES Flexibase

48950331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-isopropyl-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-1-isopropyl-N-methyl-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)	2.45	7.22	-7.3	0	4	0	34	329.238	4	↓ MOL2 SDF SMILES Flexibase

48950333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-isopropyl-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-1-isopropyl-N-methyl-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)	2.45	7.27	-10.07	0	4	0	34	329.238	4	↓ MOL2 SDF SMILES Flexibase

48952399

Analogs

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Popular Name: 4-amino-N,1-diethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-N,1-diethyl-N-[[(2S)-tet…

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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)	1.14	4.81	-8.35	2	5	0	61	265.357	5	↓ MOL2 SDF SMILES Flexibase

48952401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N,1-diethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-N,1-diethyl-N-[[(2R)-tet…

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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)	1.14	5.43	-10.81	2	5	0	61	265.357	5	↓ MOL2 SDF SMILES Flexibase

48952403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-1-propyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-N-ethyl-1-propyl-N-[[(2S…

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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)	1.64	5.55	-8.21	2	5	0	61	279.384	6	↓ MOL2 SDF SMILES Flexibase

48952405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-1-propyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-N-ethyl-1-propyl-N-[[(2R…

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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)	1.64	5.74	-10.77	2	5	0	61	279.384	6	↓ MOL2 SDF SMILES Flexibase

48952407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-1-isopropyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-N-ethyl-1-isopropyl-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)	1.50	5.86	-10.86	2	5	0	61	279.384	5	↓ MOL2 SDF SMILES Flexibase

48952409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-ethyl-1-isopropyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-N-ethyl-1-isopropyl-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)	1.50	5.36	-8.36	2	5	0	61	279.384	5	↓ MOL2 SDF SMILES Flexibase

48966660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N,1-diethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-N,1-diethyl-N-[[(2S)-tet…

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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)	2.46	7.58	-7.08	0	4	0	34	329.238	5	↓ MOL2 SDF SMILES Flexibase

48966663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N,1-diethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-N,1-diethyl-N-[[(2R)-tet…

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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)	2.46	8.19	-9.38	0	4	0	34	329.238	5	↓ MOL2 SDF SMILES Flexibase

48966666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-ethyl-1-propyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-N-ethyl-1-propyl-N-[[(2S…

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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)	2.96	8.3	-6.88	0	4	0	34	343.265	6	↓ MOL2 SDF SMILES Flexibase

48966669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-ethyl-1-propyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-N-ethyl-1-propyl-N-[[(2R…

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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)	2.96	8.55	-9.27	0	4	0	34	343.265	6	↓ MOL2 SDF SMILES Flexibase

48966672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-ethyl-1-isopropyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-N-ethyl-1-isopropyl-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)	2.82	8.63	-9.34	0	4	0	34	343.265	5	↓ MOL2 SDF SMILES Flexibase

48966675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-ethyl-1-isopropyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-N-ethyl-1-isopropyl-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)	2.82	8.12	-6.92	0	4	0	34	343.265	5	↓ MOL2 SDF SMILES Flexibase

49427938

Analogs

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Popular Name: 4-chloro-N-ethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide 4-chloro-N-ethyl-N-[[(2S)-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)	1.89	6.63	-13.01	1	4	0	45	256.733	4	↓ MOL2 SDF SMILES Flexibase

49427940

Analogs

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Popular Name: 4-chloro-N-ethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide 4-chloro-N-ethyl-N-[[(2R)-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)	1.89	5.94	-9.66	1	4	0	45	256.733	4	↓ MOL2 SDF SMILES Flexibase

42463315

Analogs

36863316
36863317
36861064
36861065

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide 4-amino-N-methyl-N-[[(2S)-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)	0.32	2.76	-13.88	3	5	0	71	223.276	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.13	1.47	-51.83	3	5	1	70	224.284	3	↓ MOL2 SDF SMILES Flexibase

42463316

Analogs

36863316
36863317
36861064
36861065

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]-1H-pyrrole-2-carboxamide 4-amino-N-methyl-N-[[(2R)-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)	0.32	2.06	-10.57	3	5	0	71	223.276	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-0.13	0.79	-50.81	3	5	1	70	224.284	3	↓ MOL2 SDF SMILES Flexibase

42463317

Analogs

36863323
36863322
36861070
36861071
36863318

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Popular Name: 4-amino-N,1-dimethyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-N,1-dimethyl-N-[[(2S)-te…

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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)	0.38	3.03	-8.97	2	5	0	61	237.303	3	↓ MOL2 SDF SMILES Flexibase

42463318

Analogs

36863323
36863322
36861070
36861071
36863318

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N,1-dimethyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-N,1-dimethyl-N-[[(2R)-te…

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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)	0.38	3.07	-11.97	2	5	0	61	237.303	3	↓ MOL2 SDF SMILES Flexibase

42463319

Analogs

36863318
36863319
36861066
36861067
36861063

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-methyl-N-[[(2S…

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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)	0.76	3.95	-8.54	2	5	0	61	251.33	4	↓ MOL2 SDF SMILES Flexibase

42463320

Analogs

36863318
36863319
36861066
36861067
36861063

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-1-ethyl-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-amino-1-ethyl-N-methyl-N-[[(2R…

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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)	0.76	4.6	-11.15	2	5	0	61	251.33	4	↓ MOL2 SDF SMILES Flexibase

42466320

Analogs

36860615
36860614
36860017
36860018
36860021

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-ethyl-N-methyl-N-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-1-ethyl-N-methyl-N-[[(2S…

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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)	2.09	6.72	-7.34	0	4	0	34	315.211	4	↓ MOL2 SDF SMILES Flexibase

42466322

Analogs

36860615
36860614
36860017
36860018
36860021

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-1-ethyl-N-methyl-N-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrole-2-carboxamide 4-bromo-1-ethyl-N-methyl-N-[[(2R…

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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)	2.09	7.38	-9.68	0	4	0	34	315.211	4	↓ MOL2 SDF SMILES Flexibase

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