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ZINC Item

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52879699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-phenyl-2-(1H-pyrrol-3-ylsulfonylamino)propanoic (2R)-2-phenyl-2-(1H-pyrrol-3-yls…

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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	3.14	-51.86	2	6	-1	102	293.324	5	↓ MOL2 SDF SMILES Flexibase

52879701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-phenyl-2-(1H-pyrrol-3-ylsulfonylamino)propanoic (2S)-2-phenyl-2-(1H-pyrrol-3-yls…

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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	3.3	-45.46	2	6	-1	102	293.324	5	↓ MOL2 SDF SMILES Flexibase

52879703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(1-methylpyrrol-3-yl)sulfonylamino]-2-phenyl-propanoic (2R)-2-[(1-methylpyrrol-3-yl)sul…

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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)	1.19	4.94	-52.22	1	6	-1	91	307.351	5	↓ MOL2 SDF SMILES Flexibase

52879705

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(1-methylpyrrol-3-yl)sulfonylamino]-2-phenyl-propanoic (2S)-2-[(1-methylpyrrol-3-yl)sul…

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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)	1.19	5.06	-47.08	1	6	-1	91	307.351	5	↓ MOL2 SDF SMILES Flexibase

52899256

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-1-methyl-pyrrole-3-sulfonamide N-[[4-(2-aminoethyl)phenyl]methy…

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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)	0.30	2.9	-54.62	4	5	1	79	294.4	6	↓ MOL2 SDF SMILES Flexibase

52899258

Analogs

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Popular Name: N-[[4-(2-aminoethyl)phenyl]methyl]-1H-pyrrole-3-sulfonamide N-[[4-(2-aminoethyl)phenyl]methy…

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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)	0.23	1.13	-54.91	5	5	1	90	280.373	6	↓ MOL2 SDF SMILES Flexibase

36133156

Analogs

37836595

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[methyl(o-tolylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[methyl(o-tolylmethyl)sulfamoy…

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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	5.02	-51.84	1	6	-1	93	307.351	5	↓ MOL2 SDF SMILES Flexibase

36133162

Analogs

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Popular Name: 4-[(2-fluorophenyl)methyl-methyl-sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(2-fluorophenyl)methyl-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.42	4.61	-51.75	1	6	-1	93	311.314	5	↓ MOL2 SDF SMILES Flexibase

36133170

Analogs

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Popular Name: 4-[(4-fluorophenyl)methyl-methyl-sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(4-fluorophenyl)methyl-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.47	4.81	-52.24	1	6	-1	93	311.314	5	↓ MOL2 SDF SMILES Flexibase

13013207

Analogs

13013209

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-(4-tert-butylphenyl)-2-methyl-propyl]sulfamoyl]-1-methyl-pyrrole-2-carboxamide 4-[[(1R)-1-(4-tert-butylphenyl)-…

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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)	3.39	5.11	-14.31	3	6	0	94	391.537	7	↓ MOL2 SDF SMILES Flexibase

13013209

Analogs

13013207

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Popular Name: 4-[[(1S)-1-(4-tert-butylphenyl)-2-methyl-propyl]sulfamoyl]-1-methyl-pyrrole-2-carboxamide 4-[[(1S)-1-(4-tert-butylphenyl)-…

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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)	3.39	5.12	-12.79	3	6	0	94	391.537	7	↓ MOL2 SDF SMILES Flexibase

36864082

Analogs

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Popular Name: 4-(benzylsulfamoyl)-1-ethyl-pyrrole-2-carboxylic 4-(benzylsulfamoyl)-1-ethyl-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)	1.50	5.29	-52.24	1	6	-1	91	307.351	6	↓ MOL2 SDF SMILES Flexibase

63001003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1H-pyrrole-3-sulfonamide N-[(1S)-2-hydroxy-1-phenyl-ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	-0.27	-12.9	3	5	0	82	266.322	5	↓ MOL2 SDF SMILES Flexibase

63001004

Analogs

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Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-1H-pyrrole-3-sulfonamide N-[(1R)-2-hydroxy-1-phenyl-ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.80	-0.17	-12.35	3	5	0	82	266.322	5	↓ MOL2 SDF SMILES Flexibase

63001005

Analogs

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Popular Name: N-[(1R)-2-hydroxy-1-phenyl-ethyl]-1-methyl-pyrrole-3-sulfonamide N-[(1R)-2-hydroxy-1-phenyl-ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.87	1.59	-13.43	2	5	0	71	280.349	5	↓ MOL2 SDF SMILES Flexibase

63001006

Analogs

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Popular Name: N-[(1S)-2-hydroxy-1-phenyl-ethyl]-1-methyl-pyrrole-3-sulfonamide N-[(1S)-2-hydroxy-1-phenyl-ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.87	1.47	-13.55	2	5	0	71	280.349	5	↓ MOL2 SDF SMILES Flexibase

63003146

Analogs

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Popular Name: 4-[[(1S)-2-hydroxy-1-phenyl-ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1S)-2-hydroxy-1-phenyl-ethy…

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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)	0.61	0.2	-49.75	3	7	-1	122	309.323	6	↓ MOL2 SDF SMILES Flexibase

63003147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-2-hydroxy-1-phenyl-ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1R)-2-hydroxy-1-phenyl-ethy…

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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)	0.61	0.3	-50.56	3	7	-1	122	309.323	6	↓ MOL2 SDF SMILES Flexibase

56104112

Analogs

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Popular Name: 4-[ethyl-[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]-1-methyl-pyrrole-2-carboxamide 4-[ethyl-[(1S)-1-(4-fluorophenyl…

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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)	1.72	3.73	-15.86	2	6	0	85	353.419	6	↓ MOL2 SDF SMILES Flexibase

56104113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[ethyl-[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-1-methyl-pyrrole-2-carboxamide 4-[ethyl-[(1R)-1-(4-fluorophenyl…

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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)	1.72	2.97	-12.65	2	6	0	85	353.419	6	↓ MOL2 SDF SMILES Flexibase

56105311

Analogs

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Popular Name: 4-[[(1S)-1-(4-tert-butylphenyl)ethyl]sulfamoyl]-1-methyl-pyrrole-2-carboxamide 4-[[(1S)-1-(4-tert-butylphenyl)e…

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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)	2.64	3.69	-13.44	3	6	0	94	363.483	6	↓ MOL2 SDF SMILES Flexibase

56105312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-(4-tert-butylphenyl)ethyl]sulfamoyl]-1-methyl-pyrrole-2-carboxamide 4-[[(1R)-1-(4-tert-butylphenyl)e…

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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)	2.64	3.6	-13.91	3	6	0	94	363.483	6	↓ MOL2 SDF SMILES Flexibase

49508838

Analogs

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Popular Name: 4-[[(1S)-1-(4-fluorophenyl)ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1S)-1-(4-fluorophenyl)ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	3.56	-50.3	2	6	-1	102	311.314	5	↓ MOL2 SDF SMILES Flexibase

49508840

Analogs

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Popular Name: 4-[[(1R)-1-(4-fluorophenyl)ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1R)-1-(4-fluorophenyl)ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	3.46	-50.31	2	6	-1	102	311.314	5	↓ MOL2 SDF SMILES Flexibase

37716755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1H-pyrrol-3-ylsulfonylamino)methyl]benzoic 3-[(1H-pyrrol-3-ylsulfonylamino)…

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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	2.87	-62	2	6	-1	102	279.297	5	↓ MOL2 SDF SMILES Flexibase

37716756

Analogs

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Popular Name: 3-[[(1-methylpyrrol-3-yl)sulfonylamino]methyl]benzoic 3-[[(1-methylpyrrol-3-yl)sulfony…

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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)	1.20	4.64	-56.73	1	6	-1	91	293.324	5	↓ MOL2 SDF SMILES Flexibase

37719170

Analogs

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Popular Name: 4-(m-tolylmethylsulfamoyl)-1H-pyrrole-2-carboxylic 4-(m-tolylmethylsulfamoyl)-1H-py…

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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)	1.48	3.46	-50.46	2	6	-1	102	293.324	5	↓ MOL2 SDF SMILES Flexibase

49530136

Analogs

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Popular Name: 4-[[(1S)-1-(3-fluorophenyl)ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1S)-1-(3-fluorophenyl)ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.76	3.56	-53.38	2	6	-1	102	311.314	5	↓ MOL2 SDF SMILES Flexibase

49530137

Analogs

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Popular Name: 4-[[(1R)-1-(3-fluorophenyl)ethyl]sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1R)-1-(3-fluorophenyl)ethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.76	3.46	-52.08	2	6	-1	102	311.314	5	↓ MOL2 SDF SMILES Flexibase

37827873

Analogs

36983782

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Popular Name: 4-[(2-bromophenyl)methyl-methyl-sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(2-bromophenyl)methyl-methyl-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	5.66	-50.4	1	6	-1	93	372.22	5	↓ MOL2 SDF SMILES Flexibase

37836595

Analogs

21018513
20213524
20486393
36133156
6893558

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[methyl(m-tolylmethyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[methyl(m-tolylmethyl)sulfamoy…

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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)	1.73	5	-54.56	1	6	-1	93	307.351	5	↓ MOL2 SDF SMILES Flexibase

37838467

Analogs

20213524
21018513
20486393
21788634
37464736

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Popular Name: 4-[(4-hydroxyphenyl)methyl-methyl-sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(4-hydroxyphenyl)methyl-methy…

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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)	0.83	1.89	-53.15	2	7	-1	114	309.323	5	↓ MOL2 SDF SMILES Flexibase

37838629

Analogs

20213524
21018513
20486393

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2-hydroxyphenyl)methyl-methyl-sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(2-hydroxyphenyl)methyl-methy…

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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	2.32	-52.76	2	7	-1	114	309.323	5	↓ MOL2 SDF SMILES Flexibase

37838658

Analogs

20213524
21018513
36983739
20486393

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(3-hydroxyphenyl)methyl-methyl-sulfamoyl]-1H-pyrrole-2-carboxylic 4-[(3-hydroxyphenyl)methyl-methy…

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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)	0.80	1.89	-53.57	2	7	-1	114	309.323	5	↓ MOL2 SDF SMILES Flexibase

37918745

Analogs

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Popular Name: 4-[[methyl(1H-pyrrol-3-ylsulfonyl)amino]methyl]benzoic 4-[[methyl(1H-pyrrol-3-ylsulfony…

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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)	1.40	4.84	-61.6	1	6	-1	93	293.324	5	↓ MOL2 SDF SMILES Flexibase

37918746

Analogs

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Popular Name: 4-[[methyl-(1-methylpyrrol-3-yl)sulfonyl-amino]methyl]benzoic 4-[[methyl-(1-methylpyrrol-3-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)	1.47	6.17	-54.94	0	6	-1	82	307.351	5	↓ MOL2 SDF SMILES Flexibase

49577851

Analogs

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Popular Name: 4-[(3,4-difluorophenyl)methylsulfamoyl]-1H-pyrrole-2-carboxylic 4-[(3,4-difluorophenyl)methylsul…

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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)	1.31	2.91	-50.89	2	6	-1	102	315.277	5	↓ MOL2 SDF SMILES Flexibase

42007840

Analogs

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Popular Name: 4-[(3-cyanophenyl)methylsulfamoyl]-1-methyl-pyrrole-2-carboxamide 4-[(3-cyanophenyl)methylsulfamoy…

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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)	0.10	1.05	-18.15	3	7	0	118	318.358	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 30274
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 = 30274 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30274&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": "30274"        

    });
</script>

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