ZINC 12

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ZINC Item

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61304180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-(2,5-dimethylphenyl)sulfonyl-acetamide N-cyclopropyl-2-(2,5-dimethylphe…

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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)	1.54	3.64	-19.37	1	4	0	63	267.35	4	↓ MOL2 SDF SMILES Flexibase

49302829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]sulfonylbenzoic 2-[2-[cyclopropyl(ethyl)amino]-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)	0.86	5.78	-57.73	0	6	-1	95	310.351	6	↓ MOL2 SDF SMILES Flexibase

49302832

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]sulfonylbenzoic 4-[2-[cyclopropyl(ethyl)amino]-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)	0.81	5.23	-56.6	0	6	-1	95	310.351	6	↓ MOL2 SDF SMILES Flexibase

49303140

Analogs

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Popular Name: 3-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]sulfonylbenzoic 3-[2-[cyclopropyl(ethyl)amino]-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)	0.79	5.36	-60.69	0	6	-1	95	310.351	6	↓ MOL2 SDF SMILES Flexibase

49303491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminophenyl)sulfonyl-N-cyclopropyl-N-ethyl-acetamide 2-(2-aminophenyl)sulfonyl-N-cycl…

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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)	0.77	2.92	-19.16	2	5	0	80	282.365	5	↓ MOL2 SDF SMILES Flexibase

49303494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfonyl-N-cyclopropyl-N-ethyl-acetamide 2-(4-aminophenyl)sulfonyl-N-cycl…

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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)	-0.02	2.54	-20.03	2	5	0	80	282.365	5	↓ MOL2 SDF SMILES Flexibase

49303500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-2,6-difluoro-phenyl)sulfonyl-N-cyclopropyl-N-ethyl-acetamide 2-(4-amino-2,6-difluoro-phenyl)s…

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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)	0.60	2.83	-22.07	2	5	0	80	318.345	5	↓ MOL2 SDF SMILES Flexibase

49305523

Analogs

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Popular Name: 2-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonylbenzoic 2-[2-[cyclopropyl(methyl)amino]-…

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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)	0.49	4.93	-57.86	0	6	-1	95	296.324	5	↓ MOL2 SDF SMILES Flexibase

49305526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonylbenzoic 4-[2-[cyclopropyl(methyl)amino]-…

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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)	0.43	4.51	-57.4	0	6	-1	95	296.324	5	↓ MOL2 SDF SMILES Flexibase

49306080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonylbenzoic 3-[2-[cyclopropyl(methyl)amino]-…

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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)	0.41	4.5	-61.82	0	6	-1	95	296.324	5	↓ MOL2 SDF SMILES Flexibase

49306083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-5-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonyl-benzoic 2-bromo-5-[2-[cyclopropyl(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)	0.83	4.99	-58.8	0	6	-1	95	375.22	5	↓ MOL2 SDF SMILES Flexibase

49306086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonyl-2-methyl-benzoic 5-[2-[cyclopropyl(methyl)amino]-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.47	5.12	-63.06	0	6	-1	95	310.351	5	↓ MOL2 SDF SMILES Flexibase

49306089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonyl-4-methyl-benzoic 3-[2-[cyclopropyl(methyl)amino]-…

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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)	1.25	5.09	-67.19	0	6	-1	95	310.351	5	↓ MOL2 SDF SMILES Flexibase

49306092

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonyl-2-fluoro-benzoic 5-[2-[cyclopropyl(methyl)amino]-…

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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)	0.19	4.53	-63.12	0	6	-1	95	314.314	5	↓ MOL2 SDF SMILES Flexibase

49306095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonyl-4-fluoro-benzoic 3-[2-[cyclopropyl(methyl)amino]-…

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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	4.53	-58.42	0	6	-1	95	314.314	5	↓ MOL2 SDF SMILES Flexibase

49306097

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonyl-benzoic 4-chloro-3-[2-[cyclopropyl(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)	1.48	4.91	-57.45	0	6	-1	95	330.769	5	↓ MOL2 SDF SMILES Flexibase

49306100

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonyl-benzoic 2-chloro-5-[2-[cyclopropyl(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)	0.70	4.89	-59.71	0	6	-1	95	330.769	5	↓ MOL2 SDF SMILES Flexibase

49306103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonyl-benzoic 4-bromo-3-[2-[cyclopropyl(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)	1.61	5.01	-56.89	0	6	-1	95	375.22	5	↓ MOL2 SDF SMILES Flexibase

49306105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]sulfonylphenyl]acetic 2-[4-[2-[cyclopropyl(methyl)amin…

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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)	-0.05	5.28	-53.6	0	6	-1	95	310.351	6	↓ MOL2 SDF SMILES Flexibase

49306887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-aminophenyl)sulfonyl-N-cyclopropyl-N-methyl-acetamide 2-(2-aminophenyl)sulfonyl-N-cycl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.40	2.19	-19.73	2	5	0	80	268.338	4	↓ MOL2 SDF SMILES Flexibase

49306901

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-aminophenyl)sulfonyl-N-cyclopropyl-N-methyl-acetamide 2-(4-aminophenyl)sulfonyl-N-cycl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-0.40	1.81	-20.7	2	5	0	80	268.338	4	↓ MOL2 SDF SMILES Flexibase

49306906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-amino-2,6-difluoro-phenyl)sulfonyl-N-cyclopropyl-N-methyl-acetamide 2-(4-amino-2,6-difluoro-phenyl)s…

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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)	0.22	2.11	-22.7	2	5	0	80	304.318	4	↓ MOL2 SDF SMILES Flexibase

37227892

Analogs

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Popular Name: 3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-4-ethyl-benzoic 3-[2-(cyclopropylamino)-2-oxo-et…

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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	4.06	-64.28	1	6	-1	103	310.351	6	↓ MOL2 SDF SMILES Flexibase

37246508

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-2,4-dimethyl-benzoic 5-[2-(cyclopropylamino)-2-oxo-et…

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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)	1.04	4.12	-67.53	1	6	-1	103	310.351	5	↓ MOL2 SDF SMILES Flexibase

37309820

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonylbenzoic 3-[(1S)-2-(cyclopropylamino)-1-m…

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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)	0.53	3.51	-59.2	1	6	-1	103	296.324	5	↓ MOL2 SDF SMILES Flexibase

37309821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonylbenzoic 3-[(1R)-2-(cyclopropylamino)-1-m…

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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)	0.53	3.85	-60.84	1	6	-1	103	296.324	5	↓ MOL2 SDF SMILES Flexibase

37309897

Analogs

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Popular Name: 3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonylbenzoic 3-[2-(cyclopropylamino)-2-oxo-et…

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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)	0.17	2.75	-61.05	1	6	-1	103	282.297	5	↓ MOL2 SDF SMILES Flexibase

37310046

Analogs

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Popular Name: 5-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-2-methoxy-benzoic 5-[2-(cyclopropylamino)-2-oxo-et…

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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)	0.26	2.82	-66.53	1	7	-1	113	312.323	6	↓ MOL2 SDF SMILES Flexibase

37310121

Analogs

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Popular Name: 2-bromo-5-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic 2-bromo-5-[(1S)-2-(cyclopropylam…

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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)	0.95	4	-56.13	1	6	-1	103	375.22	5	↓ MOL2 SDF SMILES Flexibase

37310122

Analogs

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Popular Name: 2-bromo-5-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic 2-bromo-5-[(1R)-2-(cyclopropylam…

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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)	0.95	4.33	-57.8	1	6	-1	103	375.22	5	↓ MOL2 SDF SMILES Flexibase

37310211

Analogs

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Popular Name: 5-chloro-3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-2-fluoro-benzoic 5-chloro-3-[2-(cyclopropylamino)…

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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)	0.99	3.25	-52.54	1	6	-1	103	334.732	5	↓ MOL2 SDF SMILES Flexibase

37310258

Analogs

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Popular Name: 3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-4-methoxy-benzoic 3-[2-(cyclopropylamino)-2-oxo-et…

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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	2.55	-64.11	1	7	-1	113	312.323	6	↓ MOL2 SDF SMILES Flexibase

37310333

Analogs

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Popular Name: 5-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-2-methyl-benzoic 5-[(1S)-2-(cyclopropylamino)-1-m…

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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)	0.59	4.15	-61.83	1	6	-1	103	310.351	5	↓ MOL2 SDF SMILES Flexibase

37310334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-2-methyl-benzoic 5-[(1R)-2-(cyclopropylamino)-1-m…

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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)	0.59	4.49	-59.9	1	6	-1	103	310.351	5	↓ MOL2 SDF SMILES Flexibase

37310423

Analogs

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Popular Name: 2,6-dichloro-3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-benzoic 2,6-dichloro-3-[2-(cyclopropylam…

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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	3.43	-51.87	1	6	-1	103	351.187	5	↓ MOL2 SDF SMILES Flexibase

37310469

Analogs

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Popular Name: 2,4-dichloro-5-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-benzoic 2,4-dichloro-5-[2-(cyclopropylam…

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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	3.54	-53.89	1	6	-1	103	351.187	5	↓ MOL2 SDF SMILES Flexibase

37310499

Analogs

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Popular Name: 3-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-4-methyl-benzoic 3-[(1S)-2-(cyclopropylamino)-1-m…

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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)	1.37	3.98	-64.67	1	6	-1	103	310.351	5	↓ MOL2 SDF SMILES Flexibase

37310500

Analogs

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Popular Name: 3-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-4-methyl-benzoic 3-[(1R)-2-(cyclopropylamino)-1-m…

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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)	1.37	4.52	-66.85	1	6	-1	103	310.351	5	↓ MOL2 SDF SMILES Flexibase

37310531

Analogs

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Popular Name: 3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-4-methyl-benzoic 3-[2-(cyclopropylamino)-2-oxo-et…

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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)	1.00	3.38	-66.45	1	6	-1	103	296.324	5	↓ MOL2 SDF SMILES Flexibase

37310588

Analogs

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Popular Name: 3-[4-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonylphenyl]propanoic 3-[4-[2-(cyclopropylamino)-2-oxo…

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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)	0.22	4.34	-57.48	1	6	-1	103	310.351	7	↓ MOL2 SDF SMILES Flexibase

37310617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-2-fluoro-benzoic 5-[(1S)-2-(cyclopropylamino)-1-m…

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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)	0.31	3.54	-60.31	1	6	-1	103	314.314	5	↓ MOL2 SDF SMILES Flexibase

37310618

Analogs

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Popular Name: 5-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-2-fluoro-benzoic 5-[(1R)-2-(cyclopropylamino)-1-m…

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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)	0.31	3.88	-62.08	1	6	-1	103	314.314	5	↓ MOL2 SDF SMILES Flexibase

37310690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-4-fluoro-benzoic 3-[(1S)-2-(cyclopropylamino)-1-m…

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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)	1.08	3.54	-56.96	1	6	-1	103	314.314	5	↓ MOL2 SDF SMILES Flexibase

37310691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-4-fluoro-benzoic 3-[(1R)-2-(cyclopropylamino)-1-m…

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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)	1.08	3.92	-57.14	1	6	-1	103	314.314	5	↓ MOL2 SDF SMILES Flexibase

37310722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-4-fluoro-benzoic 3-[2-(cyclopropylamino)-2-oxo-et…

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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)	0.72	2.78	-57.5	1	6	-1	103	300.287	5	↓ MOL2 SDF SMILES Flexibase

37310807

Analogs

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Popular Name: 4-chloro-3-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic 4-chloro-3-[(1S)-2-(cyclopropyla…

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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)	1.60	3.92	-56.23	1	6	-1	103	330.769	5	↓ MOL2 SDF SMILES Flexibase

37310808

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-3-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic 4-chloro-3-[(1R)-2-(cyclopropyla…

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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)	1.60	4.3	-56.45	1	6	-1	103	330.769	5	↓ MOL2 SDF SMILES Flexibase

37310878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(1S)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic 2-chloro-5-[(1S)-2-(cyclopropyla…

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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)	0.82	3.9	-56.96	1	6	-1	103	330.769	5	↓ MOL2 SDF SMILES Flexibase

37310879

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-5-[(1R)-2-(cyclopropylamino)-1-methyl-2-oxo-ethyl]sulfonyl-benzoic 2-chloro-5-[(1R)-2-(cyclopropyla…

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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)	0.82	4.24	-58.74	1	6	-1	103	330.769	5	↓ MOL2 SDF SMILES Flexibase

37310982

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-3-[2-(cyclopropylamino)-2-oxo-ethyl]sulfonyl-benzoic 4-bromo-3-[2-(cyclopropylamino)-…

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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)	1.37	3.27	-55.9	1	6	-1	103	361.193	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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Permalink

//zinc12.docking.org/results/combination?ring.id=193258&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', {
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