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ZINC Item

Suppliers, Protomers, & Similar Substances

749843

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(dimethylamino)-N,N-diethyl-5-[[2-(2-thienyl)acetyl]amino]benzamide 2-(dimethylamino)-N,N-diethyl-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)	2.57	-1	-16.22	1	5	0	52	359.495	7	↓ MOL2 SDF SMILES Flexibase

8009910

Analogs

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Popular Name: N-(4-methyl-3-sulfamoyl-phenyl)-2-(2-thienyl)acetamide N-(4-methyl-3-sulfamoyl-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)	1.89	-6.08	-16.48	3	5	0	89	310.4	4	↓ MOL2 SDF SMILES Flexibase

19434958

Analogs

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Popular Name: N-(3-carbamothioylphenyl)-2-(2-thienyl)acetamide N-(3-carbamothioylphenyl)-2-(2-t…

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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	5.47	-30.11	3	3	0	55	276.386	4	↓ MOL2 SDF SMILES Flexibase

19435240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[[2-(2-thienyl)acetyl]amino]benzoic 5-fluoro-2-[[2-(2-thienyl)acetyl…

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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)	3.00	6.29	-43.1	1	4	-1	69	278.284	4	↓ MOL2 SDF SMILES Flexibase

19437530

Analogs

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Popular Name: N-(2-carbamothioylphenyl)-2-(2-thienyl)acetamide N-(2-carbamothioylphenyl)-2-(2-t…

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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)	2.57	6.01	-17.94	3	3	0	55	276.386	4	↓ MOL2 SDF SMILES Flexibase

19440007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanoethyl)-N-phenyl-2-(2-thienyl)acetamide N-(2-cyanoethyl)-N-phenyl-2-(2-t…

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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)	2.52	9.4	-14.62	0	3	0	44	270.357	5	↓ MOL2 SDF SMILES Flexibase

20234945

Analogs

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Popular Name: N-(2-aminoethyl)-N-(p-tolyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(p-tolyl)-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)	2.32	6.9	-62.06	3	3	1	48	275.397	5	↓ MOL2 SDF SMILES Flexibase

20235083

Analogs

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Popular Name: N-(2-aminoethyl)-N-(2-fluorophenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(2-fluorophen…

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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)	1.98	6.36	-60.44	3	3	1	48	279.36	5	↓ MOL2 SDF SMILES Flexibase

20235208

Analogs

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Popular Name: N-(2-aminoethyl)-N-(3-fluorophenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(3-fluorophen…

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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)	2.01	6.31	-63.95	3	3	1	48	279.36	5	↓ MOL2 SDF SMILES Flexibase

20235331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminoethyl)-N-(4-fluorophenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(4-fluorophen…

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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)	2.03	6.31	-65.09	3	3	1	48	279.36	5	↓ MOL2 SDF SMILES Flexibase

20235458

Analogs

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Popular Name: N-(2-aminoethyl)-N-(2-chlorophenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(2-chlorophen…

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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)	2.50	6.85	-59.53	3	3	1	48	295.815	5	↓ MOL2 SDF SMILES Flexibase

20235561

Analogs

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Popular Name: N-(2-aminoethyl)-N-(3-chlorophenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(3-chlorophen…

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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)	2.52	6.75	-63.21	3	3	1	48	295.815	5	↓ MOL2 SDF SMILES Flexibase

20235667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminoethyl)-N-(4-chlorophenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(4-chlorophen…

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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)	2.55	6.76	-64.25	3	3	1	48	295.815	5	↓ MOL2 SDF SMILES Flexibase

20235802

Analogs

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Popular Name: N-(2-aminoethyl)-N-(2-methoxyphenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(2-methoxyphe…

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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)	1.88	5.76	-61.61	3	4	1	57	291.396	6	↓ MOL2 SDF SMILES Flexibase

20235922

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminoethyl)-N-(3-methoxyphenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(3-methoxyphe…

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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)	1.90	5.56	-63.19	3	4	1	57	291.396	6	↓ MOL2 SDF SMILES Flexibase

20236035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminoethyl)-N-(4-methoxyphenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(4-methoxyphe…

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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)	1.93	5.55	-64.14	3	4	1	57	291.396	6	↓ MOL2 SDF SMILES Flexibase

20236244

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminoethyl)-N-(4-ethoxyphenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(4-ethoxyphen…

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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)	2.30	6.48	-64.06	3	4	1	57	305.423	7	↓ MOL2 SDF SMILES Flexibase

20236325

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminoethyl)-N-(4-ethylphenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(4-ethylpheny…

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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	7.67	-61.89	3	3	1	48	289.424	6	↓ MOL2 SDF SMILES Flexibase

20236421

Analogs

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Popular Name: N-(2-aminoethyl)-N-(4-isopropylphenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(4-isopropylp…

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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)	3.38	8.18	-61.83	3	3	1	48	303.451	6	↓ MOL2 SDF SMILES Flexibase

20236530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminoethyl)-N-(2,4-difluorophenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(2,4-difluoro…

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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)	2.12	6.5	-65.31	3	3	1	48	297.35	5	↓ MOL2 SDF SMILES Flexibase

20236607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminoethyl)-N-(3,4-difluorophenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(3,4-difluoro…

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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)	2.12	6.36	-67.65	3	3	1	48	297.35	5	↓ MOL2 SDF SMILES Flexibase

20236689

Analogs

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Popular Name: N-(2-aminoethyl)-N-(3,5-dimethylphenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(3,5-dimethyl…

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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)	2.69	7.56	-62.17	3	3	1	48	289.424	5	↓ MOL2 SDF SMILES Flexibase

20236797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminoethyl)-N-(2,4-dimethylphenyl)-2-(2-thienyl)acetamide N-(2-aminoethyl)-N-(2,4-dimethyl…

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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)	2.69	7.94	-62.5	3	3	1	48	289.424	5	↓ MOL2 SDF SMILES Flexibase

36157072

Analogs

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Popular Name: N-(2-cyano-3-fluoro-phenyl)-2-(2-thienyl)acetamide N-(2-cyano-3-fluoro-phenyl)-2-(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)	2.64	6.79	-9.42	1	3	0	53	260.293	3	↓ MOL2 SDF SMILES Flexibase

36159035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-carbamothioyl-3-fluoro-phenyl)-2-(2-thienyl)acetamide N-(2-carbamothioyl-3-fluoro-phen…

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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)	2.69	5.66	-16.23	3	3	0	55	294.376	4	↓ MOL2 SDF SMILES Flexibase

13014355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[4-[[2-(2-thienyl)acetyl]amino]phenyl]acetamide 2-methoxy-N-[4-[[2-(2-thienyl)ac…

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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)	1.98	5.29	-22.7	2	5	0	67	304.371	6	↓ MOL2 SDF SMILES Flexibase

23042360

Analogs

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Popular Name: 2-(2-thienyl)-N-[4-(2,2,2-trifluoroethoxy)phenyl]acetamide 2-(2-thienyl)-N-[4-(2,2,2-triflu…

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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)	3.80	6.99	-15.75	1	3	0	38	315.316	6	↓ MOL2 SDF SMILES Flexibase

24990989

Analogs

36738858

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Popular Name: N-(3-acetamido-4-fluoro-phenyl)-2-(2-thienyl)acetamide N-(3-acetamido-4-fluoro-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)	2.13	5.29	-14.82	2	4	0	58	292.335	4	↓ MOL2 SDF SMILES Flexibase

57292156

Analogs

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Popular Name: 4-[methyl-[2-(5-methyl-2-thienyl)acetyl]amino]benzamide 4-[methyl-[2-(5-methyl-2-thienyl…

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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)	2.10	5.68	-15.57	2	4	0	63	288.372	4	↓ MOL2 SDF SMILES Flexibase

57292157

Analogs

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Popular Name: 2-chloro-4-[[2-(5-methyl-2-thienyl)acetyl]amino]benzamide 2-chloro-4-[[2-(5-methyl-2-thien…

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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)	2.47	4.47	-14.77	3	4	0	72	308.79	4	↓ MOL2 SDF SMILES Flexibase

14231216

Analogs

25089031

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Popular Name: N-[2-(2-amino-2-oxo-ethyl)sulfanylphenyl]-2-(2-thienyl)acetamide N-[2-(2-amino-2-oxo-ethyl)sulfan…

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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)	1.94	4.38	-15.68	3	4	0	72	306.412	6	↓ MOL2 SDF SMILES Flexibase

4171294

Analogs

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Popular Name: 5-bromo-2-[2-(2-thienyl)acetyl]amino-benzoic 5-bromo-2-[2-(2-thienyl)acetyl]a…

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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)	3.65	-1.26	-43.88	1	4	-1	69	339.19	4	↓ MOL2 SDF SMILES Flexibase

5200362

Analogs

5569712
6152640
19255475
31466510
44792242

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Popular Name: N-[4-(ethyl-isopropyl-amino)phenyl]-2-(2-thienyl)acetamide N-[4-(ethyl-isopropyl-amino)phen…

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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)	3.97	9.16	-23.22	2	3	0	34	303.451	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.97	8.88	-10.58	1	3	0	32	302.443	6	↓ MOL2 SDF SMILES Flexibase

14582966

Analogs

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Popular Name: N-[2-propoxy-5-(trifluoromethyl)phenyl]-2-(2-thienyl)acetamide N-[2-propoxy-5-(trifluoromethyl)…

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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)	4.58	8.48	-10.69	1	3	0	38	343.37	7	↓ MOL2 SDF SMILES Flexibase

62823753

Analogs

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Popular Name: 4-nitro-2-[[2-(2-thienyl)acetyl]amino]benzoic 4-nitro-2-[[2-(2-thienyl)acetyl]…

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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	7.96	-38.12	1	7	-1	115	305.291	5	↓ MOL2 SDF SMILES Flexibase

62824944

Analogs

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Popular Name: 3,5-dibromo-2-[[2-(2-thienyl)acetyl]amino]benzoic 3,5-dibromo-2-[[2-(2-thienyl)ace…

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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)	4.38	8.56	-40.82	1	4	-1	69	418.086	4	↓ MOL2 SDF SMILES Flexibase

62825655

Analogs

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Popular Name: 3,5-dimethyl-2-[[2-(2-thienyl)acetyl]amino]benzoic 3,5-dimethyl-2-[[2-(2-thienyl)ac…

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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)	2.73	8.75	-49.46	1	4	-1	69	288.348	4	↓ MOL2 SDF SMILES Flexibase

62826227

Analogs

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Popular Name: 3-bromo-2-[[2-(2-thienyl)acetyl]amino]benzoic 3-bromo-2-[[2-(2-thienyl)acetyl]…

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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)	3.62	7.91	-45.61	1	4	-1	69	339.19	4	↓ MOL2 SDF SMILES Flexibase

62831477

Analogs

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Popular Name: 5-amino-2-[[2-(2-thienyl)acetyl]amino]benzoic 5-amino-2-[[2-(2-thienyl)acetyl]…

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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)	1.92	5.05	-47.07	3	5	-1	95	275.309	4	↓ MOL2 SDF SMILES Flexibase

62831706

Analogs

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Popular Name: 4-amino-2-[[2-(2-thienyl)acetyl]amino]benzoic 4-amino-2-[[2-(2-thienyl)acetyl]…

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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)	1.92	5.05	-48.57	3	5	-1	95	275.309	4	↓ MOL2 SDF SMILES Flexibase

62831960

Analogs

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Popular Name: 5-amino-2-[methyl-[2-(2-thienyl)acetyl]amino]benzoic 5-amino-2-[methyl-[2-(2-thienyl)…

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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)	2.16	7.07	-60.21	2	5	-1	86	289.336	4	↓ MOL2 SDF SMILES Flexibase

62833057

Analogs

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Popular Name: 3-amino-4-[[2-(2-thienyl)acetyl]amino]benzoic 3-amino-4-[[2-(2-thienyl)acetyl]…

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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)	2.14	5.03	-58.08	3	5	-1	95	275.309	4	↓ MOL2 SDF SMILES Flexibase

62833330

Analogs

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Popular Name: 3-amino-4-[methyl-[2-(2-thienyl)acetyl]amino]benzoic 3-amino-4-[methyl-[2-(2-thienyl)…

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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)	2.39	7.03	-58.05	2	5	-1	86	289.336	4	↓ MOL2 SDF SMILES Flexibase

62834629

Analogs

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Popular Name: 2-(2-amino-N-[2-(2-thienyl)acetyl]anilino)acetic 2-(2-amino-N-[2-(2-thienyl)acety…

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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	7.49	-51.75	2	5	-1	86	289.336	5	↓ MOL2 SDF SMILES Flexibase

62834974

Analogs

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Popular Name: 3-(2-amino-N-[2-(2-thienyl)acetyl]anilino)propanoic 3-(2-amino-N-[2-(2-thienyl)acety…

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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)	2.02	8.03	-45.33	2	5	-1	86	303.363	6	↓ MOL2 SDF SMILES Flexibase

62835226

Analogs

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Popular Name: 3-amino-4-[ethyl-[2-(2-thienyl)acetyl]amino]benzoic 3-amino-4-[ethyl-[2-(2-thienyl)a…

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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)	2.76	7.95	-57.84	2	5	-1	86	303.363	5	↓ MOL2 SDF SMILES Flexibase

69247687

Analogs

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Popular Name: N-[5-chloro-2-(dimethylamino)phenyl]-2-(2-thienyl)acetamide N-[5-chloro-2-(dimethylamino)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)	3.53	7.96	-9.62	1	3	0	32	294.807	4	↓ MOL2 SDF SMILES Flexibase

63008761

Analogs

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Popular Name: 3-fluoro-4-[[2-(2-thienyl)acetyl]amino]benzoic 3-fluoro-4-[[2-(2-thienyl)acetyl…

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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)	2.82	6.99	-50.54	1	4	-1	69	278.284	4	↓ MOL2 SDF SMILES Flexibase

69520727

Analogs

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Popular Name: 3-(3-methyl-N-[2-(5-methyl-2-thienyl)acetyl]anilino)propanamide 3-(3-methyl-N-[2-(5-methyl-2-thi…

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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)	2.71	7.23	-13.07	2	4	0	63	316.426	6	↓ MOL2 SDF SMILES Flexibase

69558803

Analogs

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Popular Name: N-(2-acetamido-4,5-difluoro-phenyl)-2-(5-methyl-2-thienyl)acetamide N-(2-acetamido-4,5-difluoro-phen…

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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)	2.44	6.49	-18.08	2	4	0	58	324.352	4	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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