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ZINC Item

Suppliers, Protomers, & Similar Substances

6050883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(hexylsulfamoyl)phenyl]thiophene-2-carboxamide N-[4-(hexylsulfamoyl)phenyl]thio…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	5.59	-14.49	2	5	0	75	366.508	9	↓ MOL2 SDF SMILES Flexibase

8010074

Analogs

37057924

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-(4-methyl-3-sulfamoyl-phenyl)-thiophene-2-carboxamide 5-chloro-N-(4-methyl-3-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)	2.60	-6.49	-17.07	3	5	0	89	330.818	3	↓ MOL2 SDF SMILES Flexibase

40232287

Analogs

43473569

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-N-(2,3-difluorophenyl)thiophene-2-carboxamide 5-bromo-N-(2,3-difluorophenyl)th…

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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)	3.89	6.38	-5.34	1	2	0	29	318.142	2	↓ MOL2 SDF SMILES Flexibase

40232292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(m-tolyl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(m-to…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.96	5.15	-10.7	2	3	0	49	271.341	2	↓ MOL2 SDF SMILES Flexibase

40232294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(m-tolyl)thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(m-tol…

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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)	3.23	5.92	-8.82	2	3	0	49	285.368	3	↓ MOL2 SDF SMILES Flexibase

40232297

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(2,4-dimethylphenyl)-5-(3-hydr…

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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)	3.36	6.05	-10.74	2	3	0	49	285.368	2	↓ MOL2 SDF SMILES Flexibase

40232299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(2,4-dimethylphenyl)-5-(4-hydr…

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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)	3.63	6.81	-9.07	2	3	0	49	299.395	3	↓ MOL2 SDF SMILES Flexibase

40232324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-phenyl-thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	2.53	4.47	-10.73	2	3	0	49	257.314	2	↓ MOL2 SDF SMILES Flexibase

40232325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-phenyl-thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-N-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)	2.81	5.25	-9	2	3	0	49	271.341	3	↓ MOL2 SDF SMILES Flexibase

40232411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-methyl-N-phenyl-thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-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)	2.78	5.49	-11.75	1	3	0	41	271.341	2	↓ MOL2 SDF SMILES Flexibase

40232413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-methyl-N-phenyl-thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-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)	3.05	6.26	-9.91	1	3	0	41	285.368	3	↓ MOL2 SDF SMILES Flexibase

40232510

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(2,4,6-trimethylphenyl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(2,4,…

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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)	2.80	6.78	-10.42	2	3	0	49	299.395	2	↓ MOL2 SDF SMILES Flexibase

40232512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(2,5-dichlorophenyl)-5-(3-hydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	5.62	-9.22	2	3	0	49	326.204	2	↓ MOL2 SDF SMILES Flexibase

40232514

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(2,5-dichlorophenyl)-5-(4-hydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	6.38	-7.46	2	3	0	49	340.231	3	↓ MOL2 SDF SMILES Flexibase

40232516

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethyl-6-methyl-phenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(2-ethyl-6-methyl-phenyl)-5-(3…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	6.99	-10.8	2	3	0	49	299.395	3	↓ MOL2 SDF SMILES Flexibase

40232518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(3-me…

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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)	2.94	5.49	-13.21	2	3	0	49	303.408	3	↓ MOL2 SDF SMILES Flexibase

40232520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(3-methylsulfanylphenyl)thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(3-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)	3.21	6.26	-11.41	2	3	0	49	317.435	4	↓ MOL2 SDF SMILES Flexibase

40232522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(3-chloro-4-methyl-phenyl)-5-(…

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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)	3.59	5.58	-11.85	2	3	0	49	305.786	2	↓ MOL2 SDF SMILES Flexibase

40232524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(3-chloro-4-methyl-phenyl)-5-(…

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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)	3.86	6.34	-9.91	2	3	0	49	319.813	3	↓ MOL2 SDF SMILES Flexibase

40232532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(2-me…

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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)	2.54	3.92	-11.27	2	4	0	59	287.34	3	↓ MOL2 SDF SMILES Flexibase

40232534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(2-methoxyphenyl)thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(2-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)	2.81	4.7	-9.39	2	4	0	59	301.367	4	↓ MOL2 SDF SMILES Flexibase

40232536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethoxyphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(4-ethoxyphenyl)-5-(3-hydroxyp…

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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)	2.97	4.69	-11.81	2	4	0	59	301.367	4	↓ MOL2 SDF SMILES Flexibase

40232547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dichloro-3-methyl-phenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(2,6-dichloro-3-methyl-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)	4.20	6.46	-11.58	2	3	0	49	340.231	2	↓ MOL2 SDF SMILES Flexibase

40232549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methoxy-phenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(3-chloro-4-methoxy-phenyl)-5-…

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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)	3.20	4.32	-13.41	2	4	0	59	321.785	3	↓ MOL2 SDF SMILES Flexibase

40232551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethoxyphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(2-ethoxyphenyl)-5-(3-hydroxyp…

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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)	2.92	4.85	-10.95	2	4	0	59	301.367	4	↓ MOL2 SDF SMILES Flexibase

40232564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(3-chloro-2-methyl-phenyl)-5-(…

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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)	3.57	5.76	-9.29	2	3	0	49	305.786	2	↓ MOL2 SDF SMILES Flexibase

40232566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(3-chloro-2-methyl-phenyl)-5-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	6.53	-7.62	2	3	0	49	319.813	3	↓ MOL2 SDF SMILES Flexibase

40232568

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(2,4-dichlorophenyl)-5-(3-hydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	5.63	-7.85	2	3	0	49	326.204	2	↓ MOL2 SDF SMILES Flexibase

40232570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(2,4-dichlorophenyl)-5-(4-hydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	6.4	-6.05	2	3	0	49	340.231	3	↓ MOL2 SDF SMILES Flexibase

40232580

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(2,4,5-trichlorophenyl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(2,4,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.42	6.09	-8.13	2	3	0	49	360.649	2	↓ MOL2 SDF SMILES Flexibase

40232582

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(4-methylsulfanylphenyl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(4-me…

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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)	2.97	5.49	-10.87	2	3	0	49	303.408	3	↓ MOL2 SDF SMILES Flexibase

40232584

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-hydroxybut-1-ynyl)-N-(4-methylsulfanylphenyl)thiophene-2-carboxamide 5-(4-hydroxybut-1-ynyl)-N-(4-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)	3.24	6.26	-9.07	2	3	0	49	317.435	4	↓ MOL2 SDF SMILES Flexibase

40232590

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(2-isopropylphenyl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(2-is…

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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)	3.53	6.61	-10.17	2	3	0	49	299.395	3	↓ MOL2 SDF SMILES Flexibase

40232592

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(2,3,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	4.73	-9.24	2	3	0	49	311.284	2	↓ MOL2 SDF SMILES Flexibase

40232594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-difluorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(2,5-difluorophenyl)-5-(3-hydr…

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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)	2.79	4.68	-10.08	2	3	0	49	293.294	2	↓ MOL2 SDF SMILES Flexibase

40232596

Analogs

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Popular Name: N-(2,5-difluorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(2,5-difluorophenyl)-5-(4-hydr…

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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)	3.06	5.45	-8.31	2	3	0	49	307.321	3	↓ MOL2 SDF SMILES Flexibase

40232608

Analogs

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Popular Name: N-(3,5-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(3,5-dichlorophenyl)-5-(3-hydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	5.52	-9.29	2	3	0	49	326.204	2	↓ MOL2 SDF SMILES Flexibase

40232610

Analogs

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Popular Name: N-(3,5-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(3,5-dichlorophenyl)-5-(4-hydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	6.29	-7.47	2	3	0	49	340.231	3	↓ MOL2 SDF SMILES Flexibase

40232612

Analogs

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Popular Name: N-(4-carbamoylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(4-carbamoylphenyl)-5-(3-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)	1.35	1.28	-17.76	4	5	0	92	300.339	3	↓ MOL2 SDF SMILES Flexibase

40232618

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(4-isopropylphenyl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(4-is…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	6.39	-10.48	2	3	0	49	299.395	3	↓ MOL2 SDF SMILES Flexibase

40232622

Analogs

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Popular Name: N-(3,4-dichlorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(3,4-dichlorophenyl)-5-(3-hydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.82	5.47	-11.17	2	3	0	49	326.204	2	↓ MOL2 SDF SMILES Flexibase

40232624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dichlorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(3,4-dichlorophenyl)-5-(4-hydr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	6.24	-9.69	2	3	0	49	340.231	3	↓ MOL2 SDF SMILES Flexibase

40232628

Analogs

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Popular Name: N-(5-chloro-2-methoxy-phenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(5-chloro-2-methoxy-phenyl)-5-…

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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)	3.20	4.42	-11.33	2	4	0	59	321.785	3	↓ MOL2 SDF SMILES Flexibase

40232630

Analogs

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Popular Name: 5-(3-hydroxyprop-1-ynyl)-N-(2-methoxy-5-methyl-phenyl)thiophene-2-carboxamide 5-(3-hydroxyprop-1-ynyl)-N-(2-me…

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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)	2.97	4.57	-11.49	2	4	0	59	301.367	3	↓ MOL2 SDF SMILES Flexibase

40232640

Analogs

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Popular Name: N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-(o-tolyl)thiophene-2-carboxamide N-ethyl-5-(3-hydroxyprop-1-ynyl)…

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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)	3.56	7.55	-11.13	1	3	0	41	299.395	3	↓ MOL2 SDF SMILES Flexibase

40232677

Analogs

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Popular Name: N-(3,4-difluorophenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(3,4-difluorophenyl)-5-(3-hydr…

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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)	2.79	4.61	-12.81	2	3	0	49	293.294	2	↓ MOL2 SDF SMILES Flexibase

40232679

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-5-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide N-(3,4-difluorophenyl)-5-(4-hydr…

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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)	3.06	5.39	-11.4	2	3	0	49	307.321	3	↓ MOL2 SDF SMILES Flexibase

40232700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-(3-hydroxyprop-1-ynyl)-N-phenyl-thiophene-2-carboxamide N-ethyl-5-(3-hydroxyprop-1-ynyl)…

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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)	3.16	6.2	-11.45	1	3	0	41	285.368	3	↓ MOL2 SDF SMILES Flexibase

40232702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-5-(4-hydroxybut-1-ynyl)-N-phenyl-thiophene-2-carboxamide N-ethyl-5-(4-hydroxybut-1-ynyl)-…

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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)	3.43	6.98	-9.85	1	3	0	41	299.395	4	↓ MOL2 SDF SMILES Flexibase

40232704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-5-(3-hydroxyprop-1-ynyl)thiophene-2-carboxamide N-(3,4-dimethylphenyl)-5-(3-hydr…

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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)	3.36	5.7	-11.05	2	3	0	49	285.368	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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