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ZINC Item

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69233760

Analogs

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Popular Name: 1-[(5-bromo-2-thienyl)methyl]-2,3,4-trimethyl-pyrrole 1-[(5-bromo-2-thienyl)methyl]-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)	4.32	9.61	-4.58	0	1	0	5	284.222	2	↓ MOL2 SDF SMILES Flexibase

69233858

Analogs

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Popular Name: 1-[(4-bromo-2-thienyl)methyl]-2,3,4-trimethyl-pyrrole 1-[(4-bromo-2-thienyl)methyl]-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)	4.13	9.49	-4.53	0	1	0	5	284.222	2	↓ MOL2 SDF SMILES Flexibase

69233928

Analogs

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Popular Name: 1-[(5-ethyl-2-thienyl)methyl]-2,3,4-trimethyl-pyrrole 1-[(5-ethyl-2-thienyl)methyl]-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)	4.18	10.46	-4.56	0	1	0	5	233.38	3	↓ MOL2 SDF SMILES Flexibase

69233988

Analogs

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Popular Name: 1-[(5-chloro-2-thienyl)methyl]-2,3,4-trimethyl-pyrrole 1-[(5-chloro-2-thienyl)methyl]-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)	4.19	9.51	-4.53	0	1	0	5	239.771	2	↓ MOL2 SDF SMILES Flexibase

69234064

Analogs

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Popular Name: 1-[(3-bromo-2-thienyl)methyl]-2,3,4-trimethyl-pyrrole 1-[(3-bromo-2-thienyl)methyl]-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)	4.13	9.42	-4.3	0	1	0	5	284.222	2	↓ MOL2 SDF SMILES Flexibase

65536154

Analogs

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Popular Name: N-ethyl-1-(2-thienylmethyl)-N-(3,3,3-trifluoropropyl)pyrrole-2-carboxamide N-ethyl-1-(2-thienylmethyl)-N-(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)	3.66	9.8	-9.43	0	3	0	25	330.375	7	↓ MOL2 SDF SMILES Flexibase

48950880

Analogs

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Popular Name: 1-methyl-3-[[1-(2-thienylmethyl)pyrrole-2-carbonyl]amino]urea 1-methyl-3-[[1-(2-thienylmethyl)…

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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	3.57	-13.97	3	6	0	75	278.337	4	↓ MOL2 SDF SMILES Flexibase

48966380

Analogs

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Popular Name: N-(4-amino-4-oxo-butyl)-1-(2-thienylmethyl)pyrrole-2-carboxamide N-(4-amino-4-oxo-butyl)-1-(2-thi…

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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	3.66	-13.56	3	5	0	77	291.376	7	↓ MOL2 SDF SMILES Flexibase

49248040

Analogs

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Popular Name: N-(3,3-dimethylbutyl)-1-(2-thienylmethyl)pyrrole-2-carboxamide N-(3,3-dimethylbutyl)-1-(2-thien…

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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)	3.82	8.48	-8.22	1	3	0	34	290.432	6	↓ MOL2 SDF SMILES Flexibase

49280293

Analogs

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Popular Name: N-(2-bromoallyl)-1-(2-thienylmethyl)pyrrole-2-carboxamide N-(2-bromoallyl)-1-(2-thienylmet…

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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	7.23	-7.59	1	3	0	34	325.231	5	↓ MOL2 SDF SMILES Flexibase

49280951

Analogs

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Popular Name: N-(2-bromoallyl)-2,5-dimethyl-1-(2-thienylmethyl)pyrrole-3-carboxamide N-(2-bromoallyl)-2,5-dimethyl-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)	3.09	8.23	-8.74	1	3	0	34	353.285	5	↓ MOL2 SDF SMILES Flexibase

49346438

Analogs

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Popular Name: N-ethoxy-1-(2-thienylmethyl)pyrrole-2-carboxamide N-ethoxy-1-(2-thienylmethyl)pyrr…

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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)	2.18	7.06	-11.86	1	4	0	43	250.323	5	↓ MOL2 SDF SMILES Flexibase

49417622

Analogs

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Popular Name: N-isopropylsulfonyl-1-(2-thienylmethyl)pyrrole-2-carboxamide N-isopropylsulfonyl-1-(2-thienyl…

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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)	2.03	3.96	-57.19	0	5	-1	74	311.408	5	↓ MOL2 SDF SMILES Flexibase

49528071

Analogs

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Popular Name: 2,5-dimethyl-1-[(1S)-1-(2-thienyl)propyl]pyrrole-3-carboxylic 2,5-dimethyl-1-[(1S)-1-(2-thieny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	9.31	-56.01	0	3	-1	45	262.354	4	↓ MOL2 SDF SMILES Flexibase

49528072

Analogs

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Popular Name: 2,5-dimethyl-1-[(1R)-1-(2-thienyl)propyl]pyrrole-3-carboxylic 2,5-dimethyl-1-[(1R)-1-(2-thieny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.22	9.62	-58.31	0	3	-1	45	262.354	4	↓ MOL2 SDF SMILES Flexibase

49530883

Analogs

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Popular Name: 2,5-dimethyl-1-[(1S)-1-(2-thienyl)propyl]pyrrole-3-carbaldehyde 2,5-dimethyl-1-[(1S)-1-(2-thieny…

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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	8.53	-9.56	0	2	0	22	247.363	4	↓ MOL2 SDF SMILES Flexibase

49530884

Analogs

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Popular Name: 2,5-dimethyl-1-[(1R)-1-(2-thienyl)propyl]pyrrole-3-carbaldehyde 2,5-dimethyl-1-[(1R)-1-(2-thieny…

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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	8.79	-9.13	0	2	0	22	247.363	4	↓ MOL2 SDF SMILES Flexibase

49531836

Analogs

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Popular Name: 2-chloro-1-[2,5-dimethyl-1-[(1S)-1-(2-thienyl)propyl]pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-[(1S)…

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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)	3.78	10.02	-8.6	0	2	0	22	295.835	5	↓ MOL2 SDF SMILES Flexibase

49531837

Analogs

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Popular Name: 2-chloro-1-[2,5-dimethyl-1-[(1R)-1-(2-thienyl)propyl]pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-[(1R)…

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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)	3.78	10.27	-8.64	0	2	0	22	295.835	5	↓ MOL2 SDF SMILES Flexibase

49531838

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-[(1S)-1-(2-thienyl)propyl]pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-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)	4.14	10.42	-6.49	0	2	0	22	309.862	5	↓ MOL2 SDF SMILES Flexibase

49531839

Analogs

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Popular Name: (2R)-2-chloro-1-[2,5-dimethyl-1-[(1R)-1-(2-thienyl)propyl]pyrrol-3-yl]propan-1-one (2R)-2-chloro-1-[2,5-dimethyl-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)	4.14	10.68	-6.34	0	2	0	22	309.862	5	↓ MOL2 SDF SMILES Flexibase

49531840

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-[(1S)-1-(2-thienyl)propyl]pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-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)	4.14	10.68	-8.49	0	2	0	22	309.862	5	↓ MOL2 SDF SMILES Flexibase

49531841

Analogs

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Popular Name: (2S)-2-chloro-1-[2,5-dimethyl-1-[(1R)-1-(2-thienyl)propyl]pyrrol-3-yl]propan-1-one (2S)-2-chloro-1-[2,5-dimethyl-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)	4.14	10.94	-8.43	0	2	0	22	309.862	5	↓ MOL2 SDF SMILES Flexibase

49531860

Analogs

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Popular Name: 2-amino-4,5-dimethyl-1-[(1S)-1-(2-thienyl)propyl]pyrrole-3-carbonitrile 2-amino-4,5-dimethyl-1-[(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)	3.17	8.78	-8.24	2	3	0	55	259.378	3	↓ MOL2 SDF SMILES Flexibase

49531861

Analogs

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Popular Name: 2-amino-4,5-dimethyl-1-[(1R)-1-(2-thienyl)propyl]pyrrole-3-carbonitrile 2-amino-4,5-dimethyl-1-[(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)	3.17	8.98	-8.38	2	3	0	55	259.378	3	↓ MOL2 SDF SMILES Flexibase

49531899

Analogs

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Popular Name: 1-[(1S)-1-(2-thienyl)propyl]pyrrole-2-carbaldehyde 1-[(1S)-1-(2-thienyl)propyl]pyrr…

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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)	3.31	7.73	-7.06	0	2	0	22	219.309	4	↓ MOL2 SDF SMILES Flexibase

49531900

Analogs

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Popular Name: 1-[(1R)-1-(2-thienyl)propyl]pyrrole-2-carbaldehyde 1-[(1R)-1-(2-thienyl)propyl]pyrr…

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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)	3.31	7.98	-7.07	0	2	0	22	219.309	4	↓ MOL2 SDF SMILES Flexibase

49531906

Analogs

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Popular Name: 1-[(1S)-1-(2-thienyl)propyl]pyrrole-2-carboxylic 1-[(1S)-1-(2-thienyl)propyl]pyrr…

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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)	3.09	8.58	-49.58	0	3	-1	45	234.3	4	↓ MOL2 SDF SMILES Flexibase

49531907

Analogs

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Popular Name: 1-[(1R)-1-(2-thienyl)propyl]pyrrole-2-carboxylic 1-[(1R)-1-(2-thienyl)propyl]pyrr…

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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)	3.09	8.81	-49.59	0	3	-1	45	234.3	4	↓ MOL2 SDF SMILES Flexibase

49531910

Analogs

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Popular Name: 2,5-dimethyl-1-[(1S)-1-(2-thienyl)propyl]pyrrole 2,5-dimethyl-1-[(1S)-1-(2-thieny…

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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)	3.72	8.91	-4.52	0	1	0	5	219.353	3	↓ MOL2 SDF SMILES Flexibase

49531911

Analogs

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Popular Name: 2,5-dimethyl-1-[(1R)-1-(2-thienyl)propyl]pyrrole 2,5-dimethyl-1-[(1R)-1-(2-thieny…

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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)	3.72	9.1	-4.15	0	1	0	5	219.353	3	↓ MOL2 SDF SMILES Flexibase

49531912

Analogs

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Popular Name: 1-[(1S)-1-(2-thienyl)propyl]pyrrole 1-[(1S)-1-(2-thienyl)propyl]pyrrole

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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)	3.28	8.25	-3.89	0	1	0	5	191.299	3	↓ MOL2 SDF SMILES Flexibase

49531913

Analogs

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Popular Name: 1-[(1R)-1-(2-thienyl)propyl]pyrrole 1-[(1R)-1-(2-thienyl)propyl]pyrrole

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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)	3.28	8.52	-3.86	0	1	0	5	191.299	3	↓ MOL2 SDF SMILES Flexibase

49540799

Analogs

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Popular Name: 2,5-dimethyl-1-[(1S)-1-(2-thienyl)butyl]pyrrole-3-carboxylic 2,5-dimethyl-1-[(1S)-1-(2-thieny…

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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)	3.78	10.09	-55.81	0	3	-1	45	276.381	5	↓ MOL2 SDF SMILES Flexibase

49540800

Analogs

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Popular Name: 2,5-dimethyl-1-[(1R)-1-(2-thienyl)butyl]pyrrole-3-carboxylic 2,5-dimethyl-1-[(1R)-1-(2-thieny…

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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)	3.78	10.39	-58.49	0	3	-1	45	276.381	5	↓ MOL2 SDF SMILES Flexibase

49545571

Analogs

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Popular Name: 2,5-dimethyl-1-[(1S)-1-(2-thienyl)butyl]pyrrole-3-carbaldehyde 2,5-dimethyl-1-[(1S)-1-(2-thieny…

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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)	4.00	9.31	-9.36	0	2	0	22	261.39	5	↓ MOL2 SDF SMILES Flexibase

49545573

Analogs

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Popular Name: 2,5-dimethyl-1-[(1R)-1-(2-thienyl)butyl]pyrrole-3-carbaldehyde 2,5-dimethyl-1-[(1R)-1-(2-thieny…

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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)	4.00	9.31	-8.91	0	2	0	22	261.39	5	↓ MOL2 SDF SMILES Flexibase

49546714

Analogs

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Popular Name: 2-chloro-1-[2,5-dimethyl-1-[(1S)-1-(2-thienyl)butyl]pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-[(1S)…

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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)	4.34	10.8	-8.53	0	2	0	22	309.862	6	↓ MOL2 SDF SMILES Flexibase

49546716

Analogs

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Popular Name: 2-chloro-1-[2,5-dimethyl-1-[(1R)-1-(2-thienyl)butyl]pyrrol-3-yl]ethanone 2-chloro-1-[2,5-dimethyl-1-[(1R)…

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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)	4.34	11.06	-8.58	0	2	0	22	309.862	6	↓ MOL2 SDF SMILES Flexibase

49546737

Analogs

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Popular Name: 2-amino-4,5-dimethyl-1-[(1S)-1-(2-thienyl)butyl]pyrrole-3-carbonitrile 2-amino-4,5-dimethyl-1-[(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)	3.73	9.56	-8.13	2	3	0	55	273.405	4	↓ MOL2 SDF SMILES Flexibase

49546738

Analogs

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Popular Name: 2-amino-4,5-dimethyl-1-[(1R)-1-(2-thienyl)butyl]pyrrole-3-carbonitrile 2-amino-4,5-dimethyl-1-[(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)	3.73	9.75	-8.38	2	3	0	55	273.405	4	↓ MOL2 SDF SMILES Flexibase

49546837

Analogs

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Popular Name: 1-[(1S)-1-(2-thienyl)butyl]pyrrole-2-carbaldehyde 1-[(1S)-1-(2-thienyl)butyl]pyrro…

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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)	3.87	8.51	-6.91	0	2	0	22	233.336	5	↓ MOL2 SDF SMILES Flexibase

49546839

Analogs

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Popular Name: 1-[(1R)-1-(2-thienyl)butyl]pyrrole-2-carbaldehyde 1-[(1R)-1-(2-thienyl)butyl]pyrro…

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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)	3.87	8.75	-6.95	0	2	0	22	233.336	5	↓ MOL2 SDF SMILES Flexibase

49546843

Analogs

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Popular Name: 1-[(1S)-1-(2-thienyl)butyl]pyrrole-2-carboxylic 1-[(1S)-1-(2-thienyl)butyl]pyrro…

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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)	3.65	9.36	-49.71	0	3	-1	45	248.327	5	↓ MOL2 SDF SMILES Flexibase

49546846

Analogs

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Popular Name: 1-[(1R)-1-(2-thienyl)butyl]pyrrole-2-carboxylic 1-[(1R)-1-(2-thienyl)butyl]pyrro…

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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)	3.65	9.35	-49.69	0	3	-1	45	248.327	5	↓ MOL2 SDF SMILES Flexibase

49546850

Analogs

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Popular Name: 2,5-dimethyl-1-[(1S)-1-(2-thienyl)butyl]pyrrole 2,5-dimethyl-1-[(1S)-1-(2-thieny…

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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)	4.28	9.69	-4.34	0	1	0	5	233.38	4	↓ MOL2 SDF SMILES Flexibase

49546852

Analogs

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Popular Name: 2,5-dimethyl-1-[(1R)-1-(2-thienyl)butyl]pyrrole 2,5-dimethyl-1-[(1R)-1-(2-thieny…

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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)	4.28	9.87	-4.02	0	1	0	5	233.38	4	↓ MOL2 SDF SMILES Flexibase

49546854

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[(1S)-1-(2-thienyl)butyl]pyrrole 1-[(1S)-1-(2-thienyl)butyl]pyrrole

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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	-3.78	0	1	0	5	205.326	4	↓ MOL2 SDF SMILES Flexibase

49546855

Analogs

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Popular Name: 1-[(1R)-1-(2-thienyl)butyl]pyrrole 1-[(1R)-1-(2-thienyl)butyl]pyrrole

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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	-3.78	0	1	0	5	205.326	4	↓ MOL2 SDF SMILES Flexibase

49551047

Analogs

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Popular Name: 2,5-dimethyl-1-[(1R)-2-methyl-1-(2-thienyl)propyl]pyrrole-3-carboxylic 2,5-dimethyl-1-[(1R)-2-methyl-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)	3.47	10.27	-56.22	0	3	-1	45	276.381	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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