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ZINC Item

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6879059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-methylthiazol-2-yl)sulfanyl-N-(4-nitrophenyl)-acetamide 2-(4-methylthiazol-2-yl)sulfanyl…

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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	-1.32	-16.97	1	6	0	87	309.372	5	↓ MOL2 SDF SMILES Flexibase

52913851

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-methoxy-5-nitro-phenyl)-2-thiazol-2-ylsulfanyl-propanamide (2S)-N-(2-methoxy-5-nitro-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)	2.70	5.85	-14.64	1	7	0	97	339.398	6	↓ MOL2 SDF SMILES Flexibase

52913852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-methoxy-5-nitro-phenyl)-2-thiazol-2-ylsulfanyl-propanamide (2R)-N-(2-methoxy-5-nitro-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)	2.70	5.85	-14.51	1	7	0	97	339.398	6	↓ MOL2 SDF SMILES Flexibase

52913865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-chloro-4-nitro-phenyl)-2-thiazol-2-ylsulfanyl-propanamide (2S)-N-(2-chloro-4-nitro-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)	3.32	7.07	-8.48	1	6	0	88	343.817	5	↓ MOL2 SDF SMILES Flexibase

52913866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-chloro-4-nitro-phenyl)-2-thiazol-2-ylsulfanyl-propanamide (2R)-N-(2-chloro-4-nitro-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)	3.32	7.07	-8.52	1	6	0	88	343.817	5	↓ MOL2 SDF SMILES Flexibase

52913872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-chloro-5-nitro-phenyl)-2-thiazol-2-ylsulfanyl-propanamide (2R)-N-(2-chloro-5-nitro-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)	3.32	7.07	-11.73	1	6	0	88	343.817	5	↓ MOL2 SDF SMILES Flexibase

52913892

Analogs

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Popular Name: (2R)-N-[4-(difluoromethoxy)phenyl]-2-thiazol-2-ylsulfanyl-propanamide (2R)-N-[4-(difluoromethoxy)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)	3.37	5.3	-12.59	1	4	0	51	330.381	6	↓ MOL2 SDF SMILES Flexibase

52913907

Analogs

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Popular Name: N-(2-cyanoethyl)-N-(3,5-dimethylphenyl)-2-thiazol-2-ylsulfanyl-acetamide N-(2-cyanoethyl)-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)	2.92	9.29	-12.98	0	4	0	57	331.466	6	↓ MOL2 SDF SMILES Flexibase

52913928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-cyanoethyl)-N-phenyl-2-thiazol-2-ylsulfanyl-propanamide (2S)-N-(2-cyanoethyl)-N-phenyl-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)	2.46	8.2	-12.03	0	4	0	57	317.439	6	↓ MOL2 SDF SMILES Flexibase

52913929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-cyanoethyl)-N-phenyl-2-thiazol-2-ylsulfanyl-propanamide (2R)-N-(2-cyanoethyl)-N-phenyl-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)	2.46	8.62	-12.07	0	4	0	57	317.439	6	↓ MOL2 SDF SMILES Flexibase

52913958

Analogs

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Popular Name: (2S)-N-[4-nitro-2-(trifluoromethyl)phenyl]-2-thiazol-2-ylsulfanyl-propanamide (2S)-N-[4-nitro-2-(trifluorometh…

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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)	3.54	7.69	-7.95	1	6	0	88	377.369	6	↓ MOL2 SDF SMILES Flexibase

52913959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[4-nitro-2-(trifluoromethyl)phenyl]-2-thiazol-2-ylsulfanyl-propanamide (2R)-N-[4-nitro-2-(trifluorometh…

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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)	3.54	7.68	-7.8	1	6	0	88	377.369	6	↓ MOL2 SDF SMILES Flexibase

52914003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-N-(2-cyanoethyl)-2-thiazol-2-ylsulfanyl-acetamide N-(3-chlorophenyl)-N-(2-cyanoeth…

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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)	2.75	8.46	-13.34	0	4	0	57	337.857	6	↓ MOL2 SDF SMILES Flexibase

52914136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-methoxy-2-nitro-phenyl)-2-thiazol-2-ylsulfanyl-propanamide (2S)-N-(4-methoxy-2-nitro-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)	2.70	6.01	-8.92	1	7	0	97	339.398	6	↓ MOL2 SDF SMILES Flexibase

52914137

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-methoxy-2-nitro-phenyl)-2-thiazol-2-ylsulfanyl-propanamide (2R)-N-(4-methoxy-2-nitro-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)	2.70	6.09	-9.31	1	7	0	97	339.398	6	↓ MOL2 SDF SMILES Flexibase

52914447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,3,4,5,6-pentafluorophenyl)-2-thiazol-2-ylsulfanyl-propanamide (2S)-N-(2,3,4,5,6-pentafluorophe…

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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)	3.29	6.13	-7.99	1	3	0	42	354.325	4	↓ MOL2 SDF SMILES Flexibase

52914448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2,3,4,5,6-pentafluorophenyl)-2-thiazol-2-ylsulfanyl-propanamide (2R)-N-(2,3,4,5,6-pentafluorophe…

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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)	3.29	6.12	-8	1	3	0	42	354.325	4	↓ MOL2 SDF SMILES Flexibase

52914485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-methylsulfonylphenyl)-2-thiazol-2-ylsulfanyl-propanamide (2S)-N-(2-methylsulfonylphenyl)-…

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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	3.9	-12.73	1	5	0	76	342.467	5	↓ MOL2 SDF SMILES Flexibase

52914486

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-methylsulfonylphenyl)-2-thiazol-2-ylsulfanyl-propanamide (2R)-N-(2-methylsulfonylphenyl)-…

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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	3.89	-13.34	1	5	0	76	342.467	5	↓ MOL2 SDF SMILES Flexibase

52914660

Analogs

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Popular Name: (2R)-N-(2,3-dimethylphenyl)-3-methyl-2-thiazol-2-ylsulfanyl-butanamide (2R)-N-(2,3-dimethylphenyl)-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)	4.30	8.53	-10.08	1	3	0	42	320.483	5	↓ MOL2 SDF SMILES Flexibase

52914661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2,3-dimethylphenyl)-3-methyl-2-thiazol-2-ylsulfanyl-butanamide (2S)-N-(2,3-dimethylphenyl)-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)	4.30	8.51	-11.01	1	3	0	42	320.483	5	↓ MOL2 SDF SMILES Flexibase

18975531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(diethylsulfamoyl)-4-ethoxy-phenyl]-2-(4-methylthiazol-2-yl)sulfanyl-acetamide N-[3-(diethylsulfamoyl)-4-ethoxy…

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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)	3.04	6.04	-25.45	1	7	0	89	443.616	10	↓ MOL2 SDF SMILES Flexibase

20000437

Analogs

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Popular Name: 2-[2-(2-anilino-2-oxo-ethyl)sulfanyl-4-methyl-thiazol-5-yl]acetic 2-[2-(2-anilino-2-oxo-ethyl)sulf…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	6.05	-51.73	1	5	-1	82	321.403	6	↓ MOL2 SDF SMILES Flexibase

62564028

Analogs

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Popular Name: ethyl ethyl

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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)	3.48	7.78	-24.09	1	9	0	115	515.679	14	↓ MOL2 SDF SMILES Flexibase

13408003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-[5-(2-amino-2-oxo-ethyl)-4-methyl-thiazol-2-yl]sulfanylacetyl]amino]terephthalic 2-[[2-[5-(2-amino-2-oxo-ethyl)-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)	1.70	2.81	-113.12	3	9	-2	165	407.429	8	↓ MOL2 SDF SMILES Flexibase

13414357

Analogs

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Popular Name: 2-[2-[2-[(4-bromophenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(4-bromophenyl)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)	2.87	5.97	-61.58	1	5	-1	82	386.272	6	↓ MOL2 SDF SMILES Flexibase

13414386

Analogs

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Popular Name: 2-[2-[2-[[2-chloro-5-(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[[2-chloro-5-(trifluorom…

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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	-61.29	1	5	-1	82	409.818	7	↓ MOL2 SDF SMILES Flexibase

13414389

Analogs

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Popular Name: 2-[2-[2-(isopropyl-phenyl-amino)-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-(isopropyl-phenyl-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)	2.98	8.44	-61.49	0	5	-1	73	349.457	7	↓ MOL2 SDF SMILES Flexibase

13414392

Analogs

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Popular Name: 2-[2-[2-oxo-2-[[3-(trifluoromethyl)phenyl]amino]ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-oxo-2-[[3-(trifluorometh…

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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)	2.93	6.37	-60.45	1	5	-1	82	375.373	7	↓ MOL2 SDF SMILES Flexibase

13414398

Analogs

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Popular Name: 2-[2-[2-(methyl-phenyl-amino)-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-(methyl-phenyl-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)	2.30	7.12	-62.41	0	5	-1	73	321.403	6	↓ MOL2 SDF SMILES Flexibase

13414401

Analogs

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Popular Name: 2-[2-[2-[(3-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(3-chloro-4-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)	2.83	5.93	-60.7	1	5	-1	82	359.811	6	↓ MOL2 SDF SMILES Flexibase

13414404

Analogs

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Popular Name: 2-[2-[2-[(3-acetylphenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(3-acetylphenyl)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)	1.93	5.83	-72.07	1	6	-1	99	349.413	7	↓ MOL2 SDF SMILES Flexibase

13414429

Analogs

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Popular Name: 2-[2-[2-oxo-2-[[4-(trifluoromethoxy)phenyl]amino]ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-oxo-2-[[4-(trifluorometh…

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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)	3.03	5.14	-61.11	1	6	-1	91	391.372	8	↓ MOL2 SDF SMILES Flexibase

13414432

Analogs

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Popular Name: 2-[2-[2-[(3-chloro-2-methyl-phenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(3-chloro-2-methyl-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)	3.09	6.69	-60.36	1	5	-1	82	355.848	6	↓ MOL2 SDF SMILES Flexibase

13414435

Analogs

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Popular Name: 2-[2-[2-[(2,3-dimethylphenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(2,3-dimethylphenyl)ami…

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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)	2.86	6.76	-61.92	1	5	-1	82	335.43	6	↓ MOL2 SDF SMILES Flexibase

13414438

Analogs

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Popular Name: 2-[2-[2-[(3,4-dichlorophenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(3,4-dichlorophenyl)ami…

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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)	3.34	6.32	-60.28	1	5	-1	82	376.266	6	↓ MOL2 SDF SMILES Flexibase

13414441

Analogs

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Popular Name: 2-[2-[2-[(3,4-dimethylphenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(3,4-dimethylphenyl)ami…

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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	6.56	-62.35	1	5	-1	82	335.43	6	↓ MOL2 SDF SMILES Flexibase

13414444

Analogs

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Popular Name: 2-[2-[2-[(4-isopropylphenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(4-isopropylphenyl)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)	3.57	7.26	-61.97	1	5	-1	82	349.457	7	↓ MOL2 SDF SMILES Flexibase

13414459

Analogs

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Popular Name: 2-[2-[2-[(3-methoxyphenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(3-methoxyphenyl)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)	2.09	4.64	-62.05	1	6	-1	91	337.402	7	↓ MOL2 SDF SMILES Flexibase

13414462

Analogs

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Popular Name: 2-[2-[2-(m-tolylamino)-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-(m-tolylamino)-2-oxo-eth…

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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)	2.48	6.03	-62.01	1	5	-1	82	321.403	6	↓ MOL2 SDF SMILES Flexibase

13414465

Analogs

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Popular Name: 2-[2-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(2-methoxy-5-methyl-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)	2.49	5.45	-61.64	1	6	-1	91	351.429	7	↓ MOL2 SDF SMILES Flexibase

13414468

Analogs

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Popular Name: 2-[2-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(2,6-dimethylphenyl)ami…

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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	6.96	-61.17	1	5	-1	82	335.43	6	↓ MOL2 SDF SMILES Flexibase

13414471

Analogs

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Popular Name: 2-[2-[2-[(5-chloro-2-methyl-phenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(5-chloro-2-methyl-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)	3.11	6.72	-63.57	1	5	-1	82	355.848	6	↓ MOL2 SDF SMILES Flexibase

13414478

Analogs

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Popular Name: 2-[2-[2-[(2,5-dimethoxyphenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(2,5-dimethoxyphenyl)am…

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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	4.06	-64.62	1	7	-1	101	367.428	8	↓ MOL2 SDF SMILES Flexibase

13414481

Analogs

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Popular Name: 2-[2-[2-[(4-tert-butylphenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(4-tert-butylphenyl)ami…

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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)	3.76	7.67	-61.92	1	5	-1	82	363.484	7	↓ MOL2 SDF SMILES Flexibase

13414483

Analogs

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Popular Name: 2-[2-[2-[(2-chlorophenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(2-chlorophenyl)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)	2.69	5.99	-59.55	1	5	-1	82	341.821	6	↓ MOL2 SDF SMILES Flexibase

13414489

Analogs

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Popular Name: 2-[2-[2-[(2-cyanophenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(2-cyanophenyl)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)	1.76	5.8	-60.29	1	6	-1	106	332.386	6	↓ MOL2 SDF SMILES Flexibase

13414492

Analogs

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Popular Name: 2-[2-[2-[(3-bromophenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(3-bromophenyl)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)	2.84	5.98	-63.93	1	5	-1	82	386.272	6	↓ MOL2 SDF SMILES Flexibase

13414495

Analogs

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Popular Name: 2-[2-[2-(o-tolylamino)-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-(o-tolylamino)-2-oxo-eth…

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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)	2.46	6.21	-61.78	1	5	-1	82	321.403	6	↓ MOL2 SDF SMILES Flexibase

13414498

Analogs

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Popular Name: 2-[2-[2-[(4-chloro-2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]sulfanylthiazol-4-yl]acetic 2-[2-[2-[(4-chloro-2-methoxy-5-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)	3.10	5.87	-60.29	1	6	-1	91	385.874	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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