ZINC 12

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ZINC Item

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69661754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1S)-2-cyclopropyl-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)	1.17	2.6	-9.8	4	4	0	71	207.277	4	↓ MOL2 SDF SMILES Flexibase

69661758

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1R)-2-cyclopropyl-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)	1.17	2.6	-9.82	4	4	0	71	207.277	4	↓ MOL2 SDF SMILES Flexibase

69661820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-[(1S)-2-cyclopropyl-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)	1.24	4.23	-7.48	3	4	0	60	221.304	4	↓ MOL2 SDF SMILES Flexibase

69661826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-methyl-pyrrole-2-carboxamide 4-amino-N-[(1R)-2-cyclopropyl-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)	1.24	4.14	-7.49	3	4	0	60	221.304	4	↓ MOL2 SDF SMILES Flexibase

69674397

Analogs

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Popular Name: 4-amino-N-[(1S)-1-(cyclopropylmethyl)propyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1S)-1-(cyclopropylme…

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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)	1.70	3.09	-9.31	4	4	0	71	221.304	5	↓ MOL2 SDF SMILES Flexibase

69674399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-1-(cyclopropylmethyl)propyl]-1H-pyrrole-2-carboxamide 4-amino-N-[(1R)-1-(cyclopropylme…

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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)	1.70	3.21	-9.23	4	4	0	71	221.304	5	↓ MOL2 SDF SMILES Flexibase

70100367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-ethyl-pyrrole-2-carboxamide 4-amino-N-[(1S)-2-cyclopropyl-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)	1.61	4.99	-7.23	3	4	0	60	235.331	5	↓ MOL2 SDF SMILES Flexibase

70100368

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-ethyl-pyrrole-2-carboxamide 4-amino-N-[(1R)-2-cyclopropyl-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)	1.61	4.99	-7.08	3	4	0	60	235.331	5	↓ MOL2 SDF SMILES Flexibase

70100397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(1S)-2-cyclopropyl-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)	2.11	5.74	-7.1	3	4	0	60	249.358	6	↓ MOL2 SDF SMILES Flexibase

70100398

Analogs

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Popular Name: 4-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(1R)-2-cyclopropyl-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)	2.11	5.87	-6.92	3	4	0	60	249.358	6	↓ MOL2 SDF SMILES Flexibase

70100425

Analogs

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Popular Name: 4-amino-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-[(1S)-2-cyclopropyl-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)	1.97	5.56	-7.11	3	4	0	60	249.358	5	↓ MOL2 SDF SMILES Flexibase

70100426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-[(1R)-2-cyclopropyl-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)	1.97	5.56	-7.19	3	4	0	60	249.358	5	↓ MOL2 SDF SMILES Flexibase

70104842

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-isopropyl-pyrrole-2-carboxamide 4-bromo-N-[(1S)-2-cyclopropyl-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)	3.30	8.3	-5.9	1	3	0	34	313.239	5	↓ MOL2 SDF SMILES Flexibase

70104843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-isopropyl-pyrrole-2-carboxamide 4-bromo-N-[(1R)-2-cyclopropyl-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)	3.30	8.31	-6.01	1	3	0	34	313.239	5	↓ MOL2 SDF SMILES Flexibase

70104848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-ethyl-pyrrole-2-carboxamide 4-bromo-N-[(1S)-2-cyclopropyl-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)	2.94	7.77	-6.18	1	3	0	34	299.212	5	↓ MOL2 SDF SMILES Flexibase

70104849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-ethyl-pyrrole-2-carboxamide 4-bromo-N-[(1R)-2-cyclopropyl-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)	2.94	7.76	-6.03	1	3	0	34	299.212	5	↓ MOL2 SDF SMILES Flexibase

70104850

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(1S)-2-cyclopropyl-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)	2.49	5.23	-9.84	2	3	0	45	271.158	4	↓ MOL2 SDF SMILES Flexibase

70104851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(1R)-2-cyclopropyl-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)	2.49	5.35	-9.8	2	3	0	45	271.158	4	↓ MOL2 SDF SMILES Flexibase

70104856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-methyl-pyrrole-2-carboxamide 4-bromo-N-[(1S)-2-cyclopropyl-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)	2.56	6.98	-6.45	1	3	0	34	285.185	4	↓ MOL2 SDF SMILES Flexibase

70104857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-methyl-pyrrole-2-carboxamide 4-bromo-N-[(1R)-2-cyclopropyl-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)	2.56	6.88	-6.47	1	3	0	34	285.185	4	↓ MOL2 SDF SMILES Flexibase

70104870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1S)-2-cyclopropyl-1-methyl-ethyl]-1-propyl-pyrrole-2-carboxamide 4-bromo-N-[(1S)-2-cyclopropyl-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	8.52	-5.94	1	3	0	34	313.239	6	↓ MOL2 SDF SMILES Flexibase

70104871

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1R)-2-cyclopropyl-1-methyl-ethyl]-1-propyl-pyrrole-2-carboxamide 4-bromo-N-[(1R)-2-cyclopropyl-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	8.63	-5.97	1	3	0	34	313.239	6	↓ MOL2 SDF SMILES Flexibase

70104894

Analogs

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Popular Name: 4-bromo-N-[(1S)-1-(cyclopropylmethyl)propyl]-1-isopropyl-pyrrole-2-carboxamide 4-bromo-N-[(1S)-1-(cyclopropylme…

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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)	3.84	8.93	-5.21	1	3	0	34	327.266	6	↓ MOL2 SDF SMILES Flexibase

70104895

Analogs

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Popular Name: 4-bromo-N-[(1R)-1-(cyclopropylmethyl)propyl]-1-isopropyl-pyrrole-2-carboxamide 4-bromo-N-[(1R)-1-(cyclopropylme…

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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)	3.84	9.03	-5.47	1	3	0	34	327.266	6	↓ MOL2 SDF SMILES Flexibase

70104900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[(1S)-1-(cyclopropylmethyl)propyl]-1-ethyl-pyrrole-2-carboxamide 4-bromo-N-[(1S)-1-(cyclopropylme…

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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)	3.47	8.39	-5.38	1	3	0	34	313.239	6	↓ MOL2 SDF SMILES Flexibase

70104901

Analogs

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Popular Name: 4-bromo-N-[(1R)-1-(cyclopropylmethyl)propyl]-1-ethyl-pyrrole-2-carboxamide 4-bromo-N-[(1R)-1-(cyclopropylme…

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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)	3.47	8.48	-5.66	1	3	0	34	313.239	6	↓ MOL2 SDF SMILES Flexibase

70104902

Analogs

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Popular Name: 4-bromo-N-[(1S)-1-(cyclopropylmethyl)propyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(1S)-1-(cyclopropylme…

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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)	3.03	5.85	-9.31	2	3	0	45	285.185	5	↓ MOL2 SDF SMILES Flexibase

70104903

Analogs

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Popular Name: 4-bromo-N-[(1R)-1-(cyclopropylmethyl)propyl]-1H-pyrrole-2-carboxamide 4-bromo-N-[(1R)-1-(cyclopropylme…

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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)	3.03	5.96	-9.26	2	3	0	45	285.185	5	↓ MOL2 SDF SMILES Flexibase

70104908

Analogs

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

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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)	3.10	7.51	-5.66	1	3	0	34	299.212	5	↓ MOL2 SDF SMILES Flexibase

70104909

Analogs

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

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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)	3.10	7.6	-5.86	1	3	0	34	299.212	5	↓ MOL2 SDF SMILES Flexibase

70104924

Analogs

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Popular Name: 4-bromo-N-[(1S)-1-(cyclopropylmethyl)propyl]-1-propyl-pyrrole-2-carboxamide 4-bromo-N-[(1S)-1-(cyclopropylme…

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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)	3.98	9.11	-5.41	1	3	0	34	327.266	7	↓ MOL2 SDF SMILES Flexibase

70104925

Analogs

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Popular Name: 4-bromo-N-[(1R)-1-(cyclopropylmethyl)propyl]-1-propyl-pyrrole-2-carboxamide 4-bromo-N-[(1R)-1-(cyclopropylme…

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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)	3.98	9.26	-5.22	1	3	0	34	327.266	7	↓ MOL2 SDF SMILES Flexibase

70109665

Analogs

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

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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	5.63	-6.36	3	4	0	60	249.358	6	↓ MOL2 SDF SMILES Flexibase

70109666

Analogs

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

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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	5.73	-6.56	3	4	0	60	249.358	6	↓ MOL2 SDF SMILES Flexibase

70109693

Analogs

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Popular Name: 4-amino-N-[(1S)-1-(cyclopropylmethyl)propyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(1S)-1-(cyclopropylme…

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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)	2.65	6.33	-6.47	3	4	0	60	263.385	7	↓ MOL2 SDF SMILES Flexibase

70109694

Analogs

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Popular Name: 4-amino-N-[(1R)-1-(cyclopropylmethyl)propyl]-1-propyl-pyrrole-2-carboxamide 4-amino-N-[(1R)-1-(cyclopropylme…

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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)	2.65	6.48	-6.14	3	4	0	60	263.385	7	↓ MOL2 SDF SMILES Flexibase

70109713

Analogs

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

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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)	1.77	4.75	-6.67	3	4	0	60	235.331	5	↓ MOL2 SDF SMILES Flexibase

70109714

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.77	4.86	-6.89	3	4	0	60	235.331	5	↓ MOL2 SDF SMILES Flexibase

70109723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1S)-1-(cyclopropylmethyl)propyl]-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-[(1S)-1-(cyclopropylme…

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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	6.19	-6.3	3	4	0	60	263.385	6	↓ MOL2 SDF SMILES Flexibase

70109724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[(1R)-1-(cyclopropylmethyl)propyl]-1-isopropyl-pyrrole-2-carboxamide 4-amino-N-[(1R)-1-(cyclopropylme…

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)	2.51	6.29	-6.61	3	4	0	60	263.385	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 384052
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 384052 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=384052&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "384052"        

    });
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