ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

32474527

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1-dimethyl-4-[[(1R,2S)-2-methylcyclopropyl]methylsulfamoyl]pyrrole-2-carboxamide N,1-dimethyl-4-[[(1R,2S)-2-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	1.47	-16.11	2	6	0	80	285.369	5	↓ MOL2 SDF SMILES Flexibase

32474529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1-dimethyl-4-[[(1S,2S)-2-methylcyclopropyl]methylsulfamoyl]pyrrole-2-carboxamide N,1-dimethyl-4-[[(1S,2S)-2-methy…

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Activity (Go SEA)

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	1.58	-15.6	2	6	0	80	285.369	5	↓ MOL2 SDF SMILES Flexibase

32474531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1-dimethyl-4-[[(1R,2R)-2-methylcyclopropyl]methylsulfamoyl]pyrrole-2-carboxamide N,1-dimethyl-4-[[(1R,2R)-2-methy…

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Activity (Go SEA)

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	1.52	-16.15	2	6	0	80	285.369	5	↓ MOL2 SDF SMILES Flexibase

32474533

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,1-dimethyl-4-[[(1S,2R)-2-methylcyclopropyl]methylsulfamoyl]pyrrole-2-carboxamide N,1-dimethyl-4-[[(1S,2R)-2-methy…

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Activity (Go SEA)

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	1.52	-15.68	2	6	0	80	285.369	5	↓ MOL2 SDF SMILES Flexibase

36863968

Analogs

44659130

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(cyclopropylmethylsulfamoyl)-1-propyl-pyrrole-2-carboxylic 4-(cyclopropylmethylsulfamoyl)-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)	1.48	4.6	-52.29	1	6	-1	91	285.345	7	↓ MOL2 SDF SMILES Flexibase

36863970

Analogs

45629686
45629688
52276683
52276685
52276690

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(cyclopropylmethylsulfamoyl)-1-ethyl-pyrrole-2-carboxylic 4-(cyclopropylmethylsulfamoyl)-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)	0.97	3.85	-51.97	1	6	-1	91	271.318	6	↓ MOL2 SDF SMILES Flexibase

36863971

Analogs

44659132
52276696
52276697
52276701
52276704

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(cyclopropylmethylsulfamoyl)-1-isopropyl-pyrrole-2-carboxylic 4-(cyclopropylmethylsulfamoyl)-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)	1.34	4.41	-52.08	1	6	-1	91	285.345	6	↓ MOL2 SDF SMILES Flexibase

36864332

Analogs

52276660
52276663
52276669
52276683
52276685

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-cyclopropylethyl]sulfamoyl]-1-propyl-pyrrole-2-carboxylic 4-[[(1S)-1-cyclopropylethyl]sulf…

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Activity (Go SEA)

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)	1.81	5.04	-52.22	1	6	-1	91	299.372	7	↓ MOL2 SDF SMILES Flexibase

36864333

Analogs

52276660
52276663
52276669
52276683
52276685

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-1-propyl-pyrrole-2-carboxylic 4-[[(1R)-1-cyclopropylethyl]sulf…

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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)	1.81	5.06	-52.36	1	6	-1	91	299.372	7	↓ MOL2 SDF SMILES Flexibase

36864336

Analogs

52276660
52276663
52276669
52276683
52276685

Draw Identity 99% 90% 80% 70%

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

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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)	1.30	4.28	-51.94	1	6	-1	91	285.345	6	↓ MOL2 SDF SMILES Flexibase

36864337

Analogs

52276660
52276663
52276669
52276683
52276685

Draw Identity 99% 90% 80% 70%

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

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)	1.30	4.31	-52.04	1	6	-1	91	285.345	6	↓ MOL2 SDF SMILES Flexibase

36864338

Analogs

52276672
52276675
52276677
52276681
52276683

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-cyclopropylethyl]sulfamoyl]-1-isopropyl-pyrrole-2-carboxylic 4-[[(1S)-1-cyclopropylethyl]sulf…

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Activity (Go SEA)

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)	1.67	4.96	-52.74	1	6	-1	91	299.372	6	↓ MOL2 SDF SMILES Flexibase

36864339

Analogs

52276683
52276685
52276690
52276693
52276696

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-cyclopropylethyl]sulfamoyl]-1-isopropyl-pyrrole-2-carboxylic 4-[[(1R)-1-cyclopropylethyl]sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.67	4.86	-52.21	1	6	-1	91	299.372	6	↓ MOL2 SDF SMILES Flexibase

36864395

Analogs

37837744

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-cyclopropylethyl]-methyl-sulfamoyl]-1-propyl-pyrrole-2-carboxylic 4-[[(1S)-1-cyclopropylethyl]-met…

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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)	2.05	6.79	-52.4	0	6	-1	82	313.399	7	↓ MOL2 SDF SMILES Flexibase

36864396

Analogs

37837744

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-cyclopropylethyl]-methyl-sulfamoyl]-1-propyl-pyrrole-2-carboxylic 4-[[(1R)-1-cyclopropylethyl]-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.05	6.87	-52.43	0	6	-1	82	313.399	7	↓ MOL2 SDF SMILES Flexibase

36864399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-cyclopropylethyl]-methyl-sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[[(1S)-1-cyclopropylethyl]-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.55	6.04	-52.08	0	6	-1	82	299.372	6	↓ MOL2 SDF SMILES Flexibase

36864400

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-cyclopropylethyl]-methyl-sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[[(1R)-1-cyclopropylethyl]-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.55	6.1	-52.08	0	6	-1	82	299.372	6	↓ MOL2 SDF SMILES Flexibase

36864401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1S)-1-cyclopropylethyl]-methyl-sulfamoyl]-1-isopropyl-pyrrole-2-carboxylic 4-[[(1S)-1-cyclopropylethyl]-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.91	6.6	-53.55	0	6	-1	82	313.399	6	↓ MOL2 SDF SMILES Flexibase

36864402

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-cyclopropylethyl]-methyl-sulfamoyl]-1-isopropyl-pyrrole-2-carboxylic 4-[[(1R)-1-cyclopropylethyl]-met…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.91	6.65	-53.24	0	6	-1	82	313.399	6	↓ MOL2 SDF SMILES Flexibase

36864426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[cyclopropylmethyl(propyl)sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[cyclopropylmethyl(propyl)sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.10	7.33	-52.98	0	6	-1	82	313.399	8	↓ MOL2 SDF SMILES Flexibase

69237461

Analogs

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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)	1.15	4.08	-50.61	1	6	-1	93	271.318	6	↓ MOL2 SDF SMILES Flexibase

69237485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[cyclopropylmethyl(ethyl)sulfamoyl]-1-isopropyl-pyrrole-2-carboxylic 4-[cyclopropylmethyl(ethyl)sulfa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.96	7.14	-52.94	0	6	-1	82	313.399	7	↓ MOL2 SDF SMILES Flexibase

69237493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[cyclopropylmethyl(ethyl)sulfamoyl]-1-methyl-pyrrole-2-carboxylic 4-[cyclopropylmethyl(ethyl)sulfa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.22	5.72	-51.84	0	6	-1	82	285.345	6	↓ MOL2 SDF SMILES Flexibase

69237531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[cyclopropylmethyl(ethyl)sulfamoyl]-1-ethyl-pyrrole-2-carboxylic 4-[cyclopropylmethyl(ethyl)sulfa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.60	6.66	-51.91	0	6	-1	82	299.372	7	↓ MOL2 SDF SMILES Flexibase

69237578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[cyclopropylmethyl(ethyl)sulfamoyl]-1-propyl-pyrrole-2-carboxylic 4-[cyclopropylmethyl(ethyl)sulfa…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.10	7.41	-52.25	0	6	-1	82	313.399	8	↓ MOL2 SDF SMILES Flexibase

49240294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-methyl-pyrrole-2-carboxamide 4-[cyclopropylmethyl(methyl)sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	0.09	1.14	-12.68	2	6	0	85	271.342	5	↓ MOL2 SDF SMILES Flexibase

49240300

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[cyclopropylmethyl(methyl)sulfamoyl]-N,1-dimethyl-pyrrole-2-carboxamide 4-[cyclopropylmethyl(methyl)sulf…

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Activity (Go SEA)

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)	0.46	2.61	-12.83	1	6	0	71	285.369	5	↓ MOL2 SDF SMILES Flexibase

37837469

Analogs

36785262
36785263
22158486

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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)	1.09	4.34	-54.19	1	7	-1	103	315.371	8	↓ MOL2 SDF SMILES Flexibase

37837470

Analogs

36785262
36785263
22158486

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(1R)-1-cyclopropylethyl]-(2-methoxyethyl)sulfamoyl]-1H-pyrrole-2-carboxylic 4-[[(1R)-1-cyclopropylethyl]-(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)	1.09	4.52	-54.99	1	7	-1	103	315.371	8	↓ MOL2 SDF SMILES Flexibase

37837706

Analogs

37173069
37173068
22158486

Draw Identity 99% 90% 80% 70%

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

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Activity (Go SEA)

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)	0.78	3.26	-50.43	1	6	-1	93	257.291	5	↓ MOL2 SDF SMILES Flexibase

37837744

Analogs

36864238
36864239
36864396
36864395
36864066

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[cyclopropylmethyl(methyl)sulfamoyl]-1-propyl-pyrrole-2-carboxylic 4-[cyclopropylmethyl(methyl)sulf…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.52	-52.27	0	6	-1	82	299.372	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 12501
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 = 12501 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=12501&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": "12501"        

    });
</script>

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Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations