ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.61	5.96	-10.69	2	6	0	64	378.523	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.61	8.11	-109.89	4	6	2	67	380.539	4	↓ MOL2 SDF SMILES Flexibase

20235143

Analogs

5830653

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Popular Name: (3-allyl-4-amino-2-thioxo-thiazol-5-yl)-(4-methylpiperazin-1-yl)methanone (3-allyl-4-amino-2-thioxo-thiazo…

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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)	0.55	3.9	-9.75	2	5	0	55	298.437	3	↓ MOL2 SDF SMILES Flexibase

12039980

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-2-(4-methyl-2-thioxo-3H-thiazol-5-yl)-acetamide N-(4-methylsulfanylphenyl)-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)	2.54	-3.59	-20.68	2	3	0	45	310.469	4	↓ MOL2 SDF SMILES Flexibase

12211653

Analogs

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Popular Name: N-indan-5-yl-2-(4-methyl-2-thioxo-3H-thiazol-5-yl)-acetamide N-indan-5-yl-2-(4-methyl-2-thiox…

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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	-3.34	-20.13	2	3	0	45	304.44	3	↓ MOL2 SDF SMILES Flexibase

21540213

Analogs

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Popular Name: 5-chloro-3-[[4-(2,3-dimethylphenyl)piperazin-1-yl]methyl]-1,3-benzothiazole-2-thione 5-chloro-3-[[4-(2,3-dimethylphen…

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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)	5.29	11.09	-8.46	0	3	0	11	404.004	3	↓ MOL2 SDF SMILES Flexibase

12537617

Analogs

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Popular Name: 2-(4-methyl-2-thioxo-3H-thiazol-5-yl)-N-[(6-pyrazol-1-yl-3-pyridyl)methyl]acetamide 2-(4-methyl-2-thioxo-3H-thiazol-…

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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	6.56	-23.35	2	6	0	76	345.453	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.05	6.81	-58.07	3	6	1	77	346.461	5	↓ MOL2 SDF SMILES Flexibase

22693628

Analogs

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Popular Name: N-[[(2S)-4-isobutylmorpholin-2-yl]methyl]-2-[4-(p-tolyl)-2-thioxo-thiazol-3-yl]acetamide N-[[(2S)-4-isobutylmorpholin-2-y…

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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	8.23	-17.29	1	5	0	47	419.616	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.94	10.3	-53.16	2	5	1	48	420.624	7	↓ MOL2 SDF SMILES Flexibase

22693631

Analogs

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Popular Name: N-[[(2R)-4-isobutylmorpholin-2-yl]methyl]-2-[4-(p-tolyl)-2-thioxo-thiazol-3-yl]acetamide N-[[(2R)-4-isobutylmorpholin-2-y…

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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	8.16	-15.94	1	5	0	47	419.616	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.94	10.23	-50.51	2	5	1	48	420.624	7	↓ MOL2 SDF SMILES Flexibase

53944177

Analogs

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Popular Name: 4-[(2-chloroacetyl)amino]-3-phenyl-2-thioxo-thiazole-5-carboxamide 4-[(2-chloroacetyl)amino]-3-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)	1.15	3.67	-41.38	2	5	-1	83	326.81	4	↓ MOL2 SDF SMILES Flexibase

53944179

Analogs

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Popular Name: 4-[(2-chloroacetyl)amino]-N,3-diphenyl-2-thioxo-thiazole-5-carboxamide 4-[(2-chloroacetyl)amino]-N,3-di…

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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)	3.22	8.51	-43.03	1	5	-1	69	402.908	5	↓ MOL2 SDF SMILES Flexibase

54441878

Analogs

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Popular Name: 3-(3-allyl-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-6-yl)-N-phenyl-propanamide 3-(3-allyl-7-oxo-2-thioxo-thiazo…

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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)	1.85	10.27	-21.09	1	6	0	69	372.475	6	↓ MOL2 SDF SMILES Flexibase

57955427

Analogs

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Popular Name: 2-(3-allyl-7-oxo-2-thioxo-thiazolo[4,5-d]pyrimidin-6-yl)-N,N-diisobutyl-acetamide 2-(3-allyl-7-oxo-2-thioxo-thiazo…

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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)	2.38	12.48	-19.97	0	6	0	60	394.566	8	↓ MOL2 SDF SMILES Flexibase

57955481

Analogs

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Popular Name: 3-allyl-6-[(3-fluoro-4-methoxy-phenyl)methyl]-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one 3-allyl-6-[(3-fluoro-4-methoxy-p…

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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	10.63	-24.81	0	5	0	49	363.439	5	↓ MOL2 SDF SMILES Flexibase

59514470

Analogs

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Popular Name: 2-[6-(4-fluorophenyl)-7-oxo-3-[[(2S)-tetrahydrofuran-2-yl]methyl]-2-thioxo-thiazolo[4,5-d]pyrimidin- 2-[6-(4-fluorophenyl)-7-oxo-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)	3.70	12.56	-20.19	1	8	0	87	558.682	8	↓ MOL2 SDF SMILES Flexibase

59514475

Analogs

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Popular Name: 2-[6-(4-fluorophenyl)-7-oxo-3-[[(2R)-tetrahydrofuran-2-yl]methyl]-2-thioxo-thiazolo[4,5-d]pyrimidin- 2-[6-(4-fluorophenyl)-7-oxo-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)	3.70	12.45	-17.92	1	8	0	87	558.682	8	↓ MOL2 SDF SMILES Flexibase

60119955

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-7-[[(1S)-1-(cyclopropylmethyl)propyl]amino]-5-methyl-thiazolo[4,5-d]p 3-(2-bromo-4-isopropyl-phenyl)-7…

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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)	6.43	16.09	-8.46	1	4	0	43	491.524	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.43	16.46	-29.75	2	4	1	44	492.532	7	↓ MOL2 SDF SMILES Flexibase

60119956

Analogs

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Popular Name: 3-(2-bromo-4-isopropyl-phenyl)-7-[[(1R)-1-(cyclopropylmethyl)propyl]amino]-5-methyl-thiazolo[4,5-d]p 3-(2-bromo-4-isopropyl-phenyl)-7…

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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)	6.43	16.16	-8.49	1	4	0	43	491.524	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	6.43	16.55	-29.74	2	4	1	44	492.532	7	↓ MOL2 SDF SMILES Flexibase

60119960

Analogs

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Popular Name: [3-(2-bromo-4-isopropyl-phenyl)-5-methyl-2-thioxo-thiazolo[4,5-d]pyrimidin-7-yl]-ethyl-dimethoxy-amm [3-(2-bromo-4-isopropyl-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)	0.99	14.17	-30.82	0	6	1	49	484.465	6	↓ MOL2 SDF SMILES Flexibase

60119962

Analogs

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Popular Name: 5-methyl-3-phenyl-thiazolo[4,5-d]pyrimidine-2-thione 5-methyl-3-phenyl-thiazolo[4,5-d…

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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	8.64	-9.27	0	3	0	31	259.359	1	↓ MOL2 SDF SMILES Flexibase

60119971

Analogs

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Popular Name: 5-methyl-3-(2,4,6-trimethylphenyl)thiazolo[4,5-d]pyrimidine-2-thione 5-methyl-3-(2,4,6-trimethylpheny…

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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)	3.61	10.77	-8.93	0	3	0	31	301.44	1	↓ MOL2 SDF SMILES Flexibase

60119973

Analogs

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Popular Name: ethyl-dimethoxy-[5-methyl-2-thioxo-3-(2,4,6-trimethylphenyl)thiazolo[4,5-d]pyrimidin-7-yl]ammonium ethyl-dimethoxy-[5-methyl-2-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)	0.15	13.64	-31.3	0	6	1	49	405.569	5	↓ MOL2 SDF SMILES Flexibase

14229557

Analogs

25145197
25145203
25145206
25253878
25380821

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Popular Name: 2-[4-(p-tolyl)-2-thioxo-thiazol-3-yl]-1-pyrrolidin-1-yl-ethanone 2-[4-(p-tolyl)-2-thioxo-thiazol-…

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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	9.57	-17.17	0	3	0	25	318.467	3	↓ MOL2 SDF SMILES Flexibase

2576546

Analogs

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Popular Name: Ethyl 4-amino-3-(3,4-dichlorophenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate Ethyl 4-amino-3-(3,4-dichlorophe…

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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)	3.55	-1.41	-6.71	2	4	0	57	349.264	4	↓ MOL2 SDF SMILES Flexibase

2576548

Analogs

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Popular Name: ethyl 4-amino-3-(4-nitrophenyl)-2-thioxo-2,3-dihydro-1,3-thiazole-5-carboxylate ethyl 4-amino-3-(4-nitrophenyl)-…

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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	-0.61	-10	2	7	0	103	325.371	5	↓ MOL2 SDF SMILES Flexibase

2577273

Analogs

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Popular Name: N-(3,3-dimethyl-2-thioxo-4-thiazolin-3-ium-5-yl)acetamide N-(3,3-dimethyl-2-thioxo-4-thiaz…

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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	-0.19	-37.34	1	3	1	29	203.312	1	↓ MOL2 SDF SMILES Flexibase

2577275

Analogs

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Popular Name: N-(3-methyl-2-thioxo-4-thiazolin-5-yl)acetamide N-(3-methyl-2-thioxo-4-thiazolin…

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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)	0.07	3.22	-19.55	1	3	0	34	188.277	1	↓ MOL2 SDF SMILES Flexibase

2577277

Analogs

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Popular Name: Acetamide, N-(3-ethyl-2,3-dihydro-2-thioxo-5-thiazolyl)- (9CI) Acetamide, N-(3-ethyl-2,3-dihydr…

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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)	0.44	4.06	-19.31	1	3	0	34	202.304	2	↓ MOL2 SDF SMILES Flexibase

2577325

Analogs

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Popular Name: 5-[(E)-benzalamino]-3-ethyl-4-thiazoline-2-thione 5-[(E)-benzalamino]-3-ethyl-4-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)	2.76	-0.75	-10.84	0	2	0	17	248.376	3	↓ MOL2 SDF SMILES Flexibase

2577326

Analogs

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Popular Name: 5-[(E)-benzalamino]-3-methyl-4-thiazoline-2-thione 5-[(E)-benzalamino]-3-methyl-4-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)	2.38	-0.89	-11.14	0	2	0	17	234.349	2	↓ MOL2 SDF SMILES Flexibase

14250889

Analogs

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Popular Name: N-[[5-(1,3-benzothiazol-2-yl)-2-furyl]methyl]-2-(4-methyl-2-thioxo-3H-thiazol-5-yl)acetamide N-[[5-(1,3-benzothiazol-2-yl)-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)	3.54	7.63	-24.53	2	5	0	71	401.538	5	↓ MOL2 SDF SMILES Flexibase

52485590

Analogs

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Popular Name: 3-allyl-6-[(4-bromo-2-fluoro-phenyl)methyl]-2-thioxo-thiazolo[4,5-d]pyrimidin-7-one 3-allyl-6-[(4-bromo-2-fluoro-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)	3.28	11.72	-11.84	0	4	0	40	412.309	4	↓ MOL2 SDF SMILES Flexibase

4169995

Analogs

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Popular Name: methyl 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)	1.55	-2.84	-13.77	1	8	0	93	405.457	3	↓ MOL2 SDF SMILES Flexibase

4171655

Analogs

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Popular Name: 7-methyl-4-[3-(2-methylprop-2-enoxy)phenyl]-8-thioxo-9-thia-3,5,7-triazabicyclo[4.3.0]nona-4,10-dien 7-methyl-4-[3-(2-methylprop-2-en…

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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)	3.41	-1.73	-12.39	1	5	0	59	345.449	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.87	7.96	-40.25	0	5	-1	63	344.441	4	↓ MOL2 SDF SMILES Flexibase

4888996

Analogs

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Popular Name: methoxycarbonylmethyl methoxycarbonylmethyl

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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)	2.15	1.57	-12.82	0	5	0	57	323.395	6	↓ MOL2 SDF SMILES Flexibase

4889416

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)	2.66	8.61	-42.08	0	5	-1	67	335.43	5	↓ MOL2 SDF SMILES Flexibase

16887133

Analogs

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Popular Name: 3-(benzenesulfonamido)-1-(3,4-dimethyl-2-thioxo-thiazol-5-yl)urea 3-(benzenesulfonamido)-1-(3,4-di…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.25	2.86	-22.34	3	7	0	92	358.47	4	↓ MOL2 SDF SMILES Flexibase

16887141

Analogs

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Popular Name: N-[1-(4-bromophenyl)ethylideneamino]-3,4-dimethyl-2-thioxo-thiazole-5-carboxamide N-[1-(4-bromophenyl)ethylideneam…

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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)	3.07	8.28	-13.65	1	4	0	46	384.324	3	↓ MOL2 SDF SMILES Flexibase

16887147

Analogs

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Popular Name: 2-(benzenesulfonamido)-N-[1-(3,4-dimethyl-2-thioxo-thiazol-5-yl)ethylideneamino]-4-methyl-thiazole-5 2-(benzenesulfonamido)-N-[1-(3,4…

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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)	2.54	6.58	-18.5	2	8	0	105	481.65	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.54	6.61	-44.09	1	8	-1	108	480.642	6	↓ MOL2 SDF SMILES Flexibase

16887148

Analogs

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Popular Name: N-[1-(3,4-dimethyl-2-thioxo-thiazol-5-yl)ethylideneamino]-4-methyl-2-(p-tolylsulfonylamino)thiazole- N-[1-(3,4-dimethyl-2-thioxo-thia…

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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)	2.99	7.26	-18.16	2	8	0	105	495.677	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.99	7.29	-44.08	1	8	-1	108	494.669	6	↓ MOL2 SDF SMILES Flexibase

16887149

Analogs

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Popular Name: N-[1-(3,4-dimethyl-2-thioxo-thiazol-5-yl)ethylideneamino]-4-methyl-benzenesulfonamide N-[1-(3,4-dimethyl-2-thioxo-thia…

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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)	2.59	6.09	-18.4	1	5	0	63	355.51	4	↓ MOL2 SDF SMILES Flexibase

16887150

Analogs

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Popular Name: N-[1-(3,4-dimethyl-2-thioxo-thiazol-5-yl)ethylideneamino]benzenesulfonamide N-[1-(3,4-dimethyl-2-thioxo-thia…

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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	5.42	-18.61	1	5	0	63	341.483	4	↓ MOL2 SDF SMILES Flexibase

16887152

Analogs

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Popular Name: 3-(4-acetylphenyl)-1-(3,4-dimethyl-2-thioxo-thiazol-5-yl)urea 3-(4-acetylphenyl)-1-(3,4-dimeth…

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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)	2.17	6.45	-26.69	2	5	0	63	321.427	3	↓ MOL2 SDF SMILES Flexibase

16887168

Analogs

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Popular Name: N-[1-(3,4-dimethyl-2-thioxo-thiazol-5-yl)ethylideneamino]benzamide N-[1-(3,4-dimethyl-2-thioxo-thia…

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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)	2.26	7.96	-15.05	1	4	0	46	305.428	3	↓ MOL2 SDF SMILES Flexibase

16887169

Analogs

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Popular Name: N-[1-(3,4-dimethyl-2-thioxo-thiazol-5-yl)ethylideneamino]benzamide N-[1-(3,4-dimethyl-2-thioxo-thia…

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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)	2.26	7.61	-16.52	1	4	0	46	305.428	3	↓ MOL2 SDF SMILES Flexibase

16887182

Analogs

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Popular Name: 1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-(3,4-dimethyl-2-thioxo-thiazol-5-yl)urea 1-(1,5-dimethyl-3-oxo-2-phenyl-p…

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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)	1.66	8.42	-38.49	2	7	0	73	389.506	3	↓ MOL2 SDF SMILES Flexibase

16887235

Analogs

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Popular Name: 2-(2,4,6-trichlorophenoxy)ethyl 2-(2,4,6-trichlorophenoxy)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)	4.50	10.63	-10.75	0	4	0	40	412.747	6	↓ MOL2 SDF SMILES Flexibase

64981029

Analogs

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Popular Name: N-(5-cyano-3-phenyl-2-thioxo-thiazol-4-yl)-2-[[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide N-(5-cyano-3-phenyl-2-thioxo-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)	4.15	7.2	-38.87	0	7	-1	103	464.577	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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