ZINC 12

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ZINC Item

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48630342

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]tetrahydrofuran-3-carboxamide (3R)-N-[4-[(E)-N'-hydroxycarbami…

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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)	-0.08	0.19	-15.48	4	6	0	97	249.27	3	↓ MOL2 SDF SMILES Flexibase

48630343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]tetrahydrofuran-3-carboxamide (3S)-N-[4-[(E)-N'-hydroxycarbami…

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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)	-0.08	0.2	-12.21	4	6	0	97	249.27	3	↓ MOL2 SDF SMILES Flexibase

48630344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]tetrahydrofuran-3-carboxamide (3R)-N-[2-[(E)-N'-hydroxycarbami…

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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)	-0.13	0.09	-10.83	4	6	0	97	249.27	3	↓ MOL2 SDF SMILES Flexibase

48630345

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[(E)-N'-hydroxycarbamimidoyl]phenyl]tetrahydrofuran-3-carboxamide (3S)-N-[2-[(E)-N'-hydroxycarbami…

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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)	-0.13	0.16	-10.11	4	6	0	97	249.27	3	↓ MOL2 SDF SMILES Flexibase

48630346

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]tetrahydrofuran-3-carboxamide (3R)-N-[3-[(E)-N'-hydroxycarbami…

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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)	-0.11	0.17	-13.16	4	6	0	97	249.27	3	↓ MOL2 SDF SMILES Flexibase

48630347

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[3-[(E)-N'-hydroxycarbamimidoyl]phenyl]tetrahydrofuran-3-carboxamide (3S)-N-[3-[(E)-N'-hydroxycarbami…

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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)	-0.11	0.18	-13.09	4	6	0	97	249.27	3	↓ MOL2 SDF SMILES Flexibase

48630348

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[(3E)-3-amino-3-hydroxyimino-propyl]-N-phenyl-tetrahydrofuran-3-carboxamide (3R)-N-[(3E)-3-amino-3-hydroxyim…

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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	2.07	-13.84	3	6	0	88	277.324	5	↓ MOL2 SDF SMILES Flexibase

48630349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[(3E)-3-amino-3-hydroxyimino-propyl]-N-phenyl-tetrahydrofuran-3-carboxamide (3S)-N-[(3E)-3-amino-3-hydroxyim…

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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	2.36	-13.16	3	6	0	88	277.324	5	↓ MOL2 SDF SMILES Flexibase

48630352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[4-[(2Z)-2-amino-2-hydroxyimino-ethoxy]phenyl]tetrahydrofuran-3-carboxamide (3R)-N-[4-[(2Z)-2-amino-2-hydrox…

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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)	0.68	0.01	-14.95	4	7	0	106	279.296	5	↓ MOL2 SDF SMILES Flexibase

48630353

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[4-[(2Z)-2-amino-2-hydroxyimino-ethoxy]phenyl]tetrahydrofuran-3-carboxamide (3S)-N-[4-[(2Z)-2-amino-2-hydrox…

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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)	0.68	0.01	-16.53	4	7	0	106	279.296	5	↓ MOL2 SDF SMILES Flexibase

48630354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[3-[(2Z)-2-amino-2-hydroxyimino-ethoxy]phenyl]tetrahydrofuran-3-carboxamide (3R)-N-[3-[(2Z)-2-amino-2-hydrox…

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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)	0.65	0.01	-19.07	4	7	0	106	279.296	5	↓ MOL2 SDF SMILES Flexibase

48630355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[3-[(2Z)-2-amino-2-hydroxyimino-ethoxy]phenyl]tetrahydrofuran-3-carboxamide (3S)-N-[3-[(2Z)-2-amino-2-hydrox…

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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)	0.65	0.01	-14.52	4	7	0	106	279.296	5	↓ MOL2 SDF SMILES Flexibase

48630356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-[(2Z)-2-amino-2-hydroxyimino-ethoxy]phenyl]tetrahydrofuran-3-carboxamide (3R)-N-[2-[(2Z)-2-amino-2-hydrox…

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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)	0.63	0.13	-14.12	4	7	0	106	279.296	5	↓ MOL2 SDF SMILES Flexibase

48630357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-[(2Z)-2-amino-2-hydroxyimino-ethoxy]phenyl]tetrahydrofuran-3-carboxamide (3S)-N-[2-[(2Z)-2-amino-2-hydrox…

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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)	0.63	0.15	-13.16	4	7	0	106	279.296	5	↓ MOL2 SDF SMILES Flexibase

48630358

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[3-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]tetrahydrofuran-3-carboxamide (3R)-N-[3-fluoro-2-[(E)-N'-hydro…

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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	-0.18	-11.68	4	6	0	97	267.26	3	↓ MOL2 SDF SMILES Flexibase

48630359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[3-fluoro-2-[(E)-N'-hydroxycarbamimidoyl]phenyl]tetrahydrofuran-3-carboxamide (3S)-N-[3-fluoro-2-[(E)-N'-hydro…

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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	-0.16	-11.73	4	6	0	97	267.26	3	↓ MOL2 SDF SMILES Flexibase

48630404

Analogs

37135452
37135453

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-methyl-3-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3R)-N-(2-methyl-3-sulfamoyl-phe…

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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)	0.65	-0.58	-16.33	3	6	0	98	284.337	3	↓ MOL2 SDF SMILES Flexibase

48630405

Analogs

37135452
37135453

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-methyl-3-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3S)-N-(2-methyl-3-sulfamoyl-phe…

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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)	0.65	-0.55	-15.77	3	6	0	98	284.337	3	↓ MOL2 SDF SMILES Flexibase

48630406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(3-sulfamoylphenyl)tetrahydrofuran-3-carboxamide (3R)-N-(3-sulfamoylphenyl)tetrah…

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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)	0.27	-1.51	-17.74	3	6	0	98	270.31	3	↓ MOL2 SDF SMILES Flexibase

48630407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(3-sulfamoylphenyl)tetrahydrofuran-3-carboxamide (3S)-N-(3-sulfamoylphenyl)tetrah…

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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)	0.27	-1.51	-14.16	3	6	0	98	270.31	3	↓ MOL2 SDF SMILES Flexibase

48630416

Analogs

37058024
37058023

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-methyl-3-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3R)-N-(4-methyl-3-sulfamoyl-phe…

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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)	0.67	-0.75	-18.87	3	6	0	98	284.337	3	↓ MOL2 SDF SMILES Flexibase

48630417

Analogs

37058024
37058023

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4-methyl-3-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3S)-N-(4-methyl-3-sulfamoyl-phe…

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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)	0.67	-0.75	-14.01	3	6	0	98	284.337	3	↓ MOL2 SDF SMILES Flexibase

48630418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3R)-N-(2,3-dimethyl-5-sulfamoyl…

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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)	1.05	-0.14	-18.42	3	6	0	98	298.364	3	↓ MOL2 SDF SMILES Flexibase

48630419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2,3-dimethyl-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3S)-N-(2,3-dimethyl-5-sulfamoyl…

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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)	1.05	-0.11	-16.68	3	6	0	98	298.364	3	↓ MOL2 SDF SMILES Flexibase

48630420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[3-(sulfamoylamino)phenyl]tetrahydrofuran-3-carboxamide (3R)-N-[3-(sulfamoylamino)phenyl…

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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)	0.20	-2.46	-16	4	7	0	111	285.325	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.20	-2.35	-51.62	3	7	-1	113	284.317	4	↓ MOL2 SDF SMILES Flexibase

48630421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[3-(sulfamoylamino)phenyl]tetrahydrofuran-3-carboxamide (3S)-N-[3-(sulfamoylamino)phenyl…

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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)	0.20	-2.46	-15.02	4	7	0	111	285.325	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.20	-2.35	-44.48	3	7	-1	113	284.317	4	↓ MOL2 SDF SMILES Flexibase

48630422

Analogs

37135017
37135018

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-methoxy-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3R)-N-(2-methoxy-5-sulfamoyl-ph…

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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)	0.28	-2.11	-17.33	3	7	0	108	300.336	4	↓ MOL2 SDF SMILES Flexibase

48630423

Analogs

37135017
37135018

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-methoxy-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3S)-N-(2-methoxy-5-sulfamoyl-ph…

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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)	0.28	-2.09	-15.88	3	7	0	108	300.336	4	↓ MOL2 SDF SMILES Flexibase

48630424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-methyl-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3R)-N-(2-methyl-5-sulfamoyl-phe…

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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)	0.67	-0.62	-19.81	3	6	0	98	284.337	3	↓ MOL2 SDF SMILES Flexibase

48630425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-methyl-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3S)-N-(2-methyl-5-sulfamoyl-phe…

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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)	0.67	-0.6	-18.81	3	6	0	98	284.337	3	↓ MOL2 SDF SMILES Flexibase

48630426

Analogs

37137136
37137137

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[4-(sulfamoylmethyl)phenyl]tetrahydrofuran-3-carboxamide (3R)-N-[4-(sulfamoylmethyl)pheny…

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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)	0.36	-0.82	-19.95	3	6	0	98	284.337	4	↓ MOL2 SDF SMILES Flexibase

48630427

Analogs

37137136
37137137

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[4-(sulfamoylmethyl)phenyl]tetrahydrofuran-3-carboxamide (3S)-N-[4-(sulfamoylmethyl)pheny…

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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)	0.36	-0.82	-19.11	3	6	0	98	284.337	4	↓ MOL2 SDF SMILES Flexibase

48630428

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-chloro-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3R)-N-(2-chloro-5-sulfamoyl-phe…

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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)	0.90	-0.88	-16.65	3	6	0	98	304.755	3	↓ MOL2 SDF SMILES Flexibase

48630429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-chloro-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3S)-N-(2-chloro-5-sulfamoyl-phe…

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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)	0.90	-0.89	-13.8	3	6	0	98	304.755	3	↓ MOL2 SDF SMILES Flexibase

48630432

Analogs

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Popular Name: (3R)-N-(2-sulfamoylphenyl)tetrahydrofuran-3-carboxamide (3R)-N-(2-sulfamoylphenyl)tetrah…

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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)	0.25	-1.09	-14.37	3	6	0	98	270.31	3	↓ MOL2 SDF SMILES Flexibase

48630433

Analogs

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Popular Name: (3S)-N-(2-sulfamoylphenyl)tetrahydrofuran-3-carboxamide (3S)-N-(2-sulfamoylphenyl)tetrah…

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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)	0.25	-1.07	-14.55	3	6	0	98	270.31	3	↓ MOL2 SDF SMILES Flexibase

48630444

Analogs

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Popular Name: (3R)-N-(2-fluoro-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3R)-N-(2-fluoro-5-sulfamoyl-phe…

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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)	0.39	-1.41	-16.97	3	6	0	98	288.3	3	↓ MOL2 SDF SMILES Flexibase

48630445

Analogs

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Popular Name: (3S)-N-(2-fluoro-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3S)-N-(2-fluoro-5-sulfamoyl-phe…

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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)	0.39	-1.38	-14.08	3	6	0	98	288.3	3	↓ MOL2 SDF SMILES Flexibase

48630446

Analogs

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Popular Name: (3R)-N-(5-fluoro-2-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3R)-N-(5-fluoro-2-sulfamoyl-phe…

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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)	0.39	-1.02	-14.76	3	6	0	98	288.3	3	↓ MOL2 SDF SMILES Flexibase

48630447

Analogs

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Popular Name: (3S)-N-(5-fluoro-2-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3S)-N-(5-fluoro-2-sulfamoyl-phe…

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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)	0.39	-1.01	-14.64	3	6	0	98	288.3	3	↓ MOL2 SDF SMILES Flexibase

48630448

Analogs

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Popular Name: (3R)-N-methyl-N-(4-sulfamoylphenyl)tetrahydrofuran-3-carboxamide (3R)-N-methyl-N-(4-sulfamoylphen…

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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)	0.54	0.1	-18.09	2	6	0	90	284.337	3	↓ MOL2 SDF SMILES Flexibase

48630449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-methyl-N-(4-sulfamoylphenyl)tetrahydrofuran-3-carboxamide (3S)-N-methyl-N-(4-sulfamoylphen…

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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)	0.54	-0.21	-17	2	6	0	90	284.337	3	↓ MOL2 SDF SMILES Flexibase

48630452

Analogs

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Popular Name: (3R)-N-(3-fluoro-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3R)-N-(3-fluoro-5-sulfamoyl-phe…

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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)	0.39	-1.44	-15.55	3	6	0	98	288.3	3	↓ MOL2 SDF SMILES Flexibase

48630453

Analogs

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Popular Name: (3S)-N-(3-fluoro-5-sulfamoyl-phenyl)tetrahydrofuran-3-carboxamide (3S)-N-(3-fluoro-5-sulfamoyl-phe…

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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)	0.39	-1.45	-15	3	6	0	98	288.3	3	↓ MOL2 SDF SMILES Flexibase

59415766

Analogs

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Popular Name: (3R)-N-(3-cyanophenyl)-N-methyl-tetrahydrofuran-3-carboxamide (3R)-N-(3-cyanophenyl)-N-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)	1.58	5.51	-13.59	0	4	0	53	230.267	2	↓ MOL2 SDF SMILES Flexibase

59415769

Analogs

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Popular Name: (3S)-N-(3-cyanophenyl)-N-methyl-tetrahydrofuran-3-carboxamide (3S)-N-(3-cyanophenyl)-N-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)	1.58	5.2	-9.83	0	4	0	53	230.267	2	↓ MOL2 SDF SMILES Flexibase

62823670

Analogs

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Popular Name: 5-nitro-2-[[(3R)-tetrahydrofuran-3-carbonyl]amino]benzoic 5-nitro-2-[[(3R)-tetrahydrofuran…

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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)	1.58	5.09	-39.35	1	8	-1	124	279.228	4	↓ MOL2 SDF SMILES Flexibase

62823671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-nitro-2-[[(3S)-tetrahydrofuran-3-carbonyl]amino]benzoic 5-nitro-2-[[(3S)-tetrahydrofuran…

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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)	1.58	5.15	-38.88	1	8	-1	124	279.228	4	↓ MOL2 SDF SMILES Flexibase

62823862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-nitro-2-[[(3R)-tetrahydrofuran-3-carbonyl]amino]benzoic 4-nitro-2-[[(3R)-tetrahydrofuran…

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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)	1.58	5.13	-37.94	1	8	-1	124	279.228	4	↓ MOL2 SDF SMILES Flexibase

62823863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-nitro-2-[[(3S)-tetrahydrofuran-3-carbonyl]amino]benzoic 4-nitro-2-[[(3S)-tetrahydrofuran…

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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)	1.58	5.21	-36.69	1	8	-1	124	279.228	4	↓ 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

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 = 21357 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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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