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)	2.11	8.33	-23.08	3	6	0	79	372.837	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	7.29	-51.75	2	6	-1	85	371.829	4	↓ MOL2 SDF SMILES Flexibase

52817504

Analogs

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Popular Name: [4-(4-hydroxyphenyl)piperazin-1-yl]-(3-phenyl-2-thioxo-1H-imidazol-4-yl)methanone [4-(4-hydroxyphenyl)piperazin-1-…

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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)	2.04	8.21	-20.32	2	6	0	65	380.473	3	↓ MOL2 SDF SMILES Flexibase

52836378

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(2-furyl)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2S)-2-(dimethylamino)-2-(2-f…

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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)	1.56	9.53	-64.3	3	6	1	67	357.459	6	↓ MOL2 SDF SMILES Flexibase

52836381

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(2-furyl)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2R)-2-(dimethylamino)-2-(2-f…

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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)	1.56	9.57	-63.26	3	6	1	67	357.459	6	↓ MOL2 SDF SMILES Flexibase

52839028

Analogs

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Popular Name: N-[(2S)-2-(dimethylamino)-3-phenyl-propyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2S)-2-(dimethylamino)-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)	2.51	12.33	-66.68	3	5	1	54	381.525	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.51	9.42	-21.52	2	5	0	53	380.517	7	↓ MOL2 SDF SMILES Flexibase

52839032

Analogs

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Popular Name: N-[(2R)-2-(dimethylamino)-3-phenyl-propyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2R)-2-(dimethylamino)-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)	2.51	12.34	-66.46	3	5	1	54	381.525	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.51	9.55	-24.02	2	5	0	53	380.517	7	↓ MOL2 SDF SMILES Flexibase

52839234

Analogs

25861304
25861309

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Popular Name: N-[(2R)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2R)-2-(dimethylamino)-2-(3-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)	2.33	10.28	-62.75	3	6	1	63	397.524	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.33	8.64	-23.67	2	6	0	62	396.516	7	↓ MOL2 SDF SMILES Flexibase

52839239

Analogs

25861304
25861309

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Popular Name: N-[(2S)-2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2S)-2-(dimethylamino)-2-(3-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)	2.33	10.31	-63.67	3	6	1	63	397.524	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.33	7.82	-22.94	2	6	0	62	396.516	7	↓ MOL2 SDF SMILES Flexibase

52842998

Analogs

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Popular Name: N-[3-[(2R)-2-methyl-1-piperidyl]propyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[3-[(2R)-2-methyl-1-piperidyl]…

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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)	2.23	10.54	-61.41	3	5	1	54	359.519	6	↓ MOL2 SDF SMILES Flexibase

52842999

Analogs

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Popular Name: N-[3-[(2S)-2-methyl-1-piperidyl]propyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[3-[(2S)-2-methyl-1-piperidyl]…

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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)	2.23	10.54	-61.46	3	5	1	54	359.519	6	↓ MOL2 SDF SMILES Flexibase

52855502

Analogs

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Popular Name: (4-methylsulfonylpiperazin-1-yl)-(3-phenyl-2-thioxo-1H-imidazol-4-yl)methanone (4-methylsulfonylpiperazin-1-yl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.20	5.52	-25.27	1	7	0	78	366.468	3	↓ MOL2 SDF SMILES Flexibase

52901964

Analogs

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Popular Name: N-[2-(6-fluoro-4H-1,3-benzodioxin-8-yl)ethyl]-4-(2-thioxo-1H-imidazol-3-yl)benzamide N-[2-(6-fluoro-4H-1,3-benzodioxi…

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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	9.32	-28.24	2	6	0	68	399.447	5	↓ MOL2 SDF SMILES Flexibase

17972485

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2-thioxo-1H-imidazole-4-carboxamide 3-(4-fluorophenyl)-N-methyl-N-[(…

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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	11.93	-22.96	1	4	0	41	387.505	5	↓ MOL2 SDF SMILES Flexibase

17973865

Analogs

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Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N-methyl-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[2-[(2,6-dimethylphenyl)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)	1.97	11.25	-22.32	2	6	0	70	394.5	5	↓ MOL2 SDF SMILES Flexibase

20362360

Analogs

35736259
35736260
35736261
35736262
42823046

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Popular Name: 1-(Tetrahydro-2-furanylmethyl)-1H-imidazole-2-thiol 1-(Tetrahydro-2-furanylmethyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.36	5.12	-17.98	1	3	0	30	184.264	2	↓ MOL2 SDF SMILES Flexibase

20362361

Analogs

35736259
35736260
35736261
35736262
42823046

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Popular Name: 1-(Tetrahydro-2-furanylmethyl)-1H-imidazole-2-thiol 1-(Tetrahydro-2-furanylmethyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.36	5.2	-21.3	1	3	0	30	184.264	2	↓ MOL2 SDF SMILES Flexibase

12017271

Analogs

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Popular Name: N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[5-[(3-chlorophenyl)methyl]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)	4.29	-1.97	-19.35	2	5	0	63	426.954	5	↓ MOL2 SDF SMILES Flexibase

12039727

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-(4-methylsulfanylphenyl)-2-thioxo-1H-imidazole-4-carboxamide 3-(4-fluorophenyl)-N-(4-methylsu…

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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	-0.83	-14.97	2	4	0	50	359.451	4	↓ MOL2 SDF SMILES Flexibase

12039730

Analogs

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Popular Name: N-(4-methylsulfanylphenyl)-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-(4-methylsulfanylphenyl)-3-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)	2.82	-1.57	-15.91	2	4	0	50	341.461	4	↓ MOL2 SDF SMILES Flexibase

36332392

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)imidazole-2-thiol 1-(1,1-dioxothian-4-yl)imidazole…

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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)	-0.23	2.9	-29.41	1	4	0	55	232.33	1	↓ MOL2 SDF SMILES Flexibase

36332530

Analogs

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Popular Name: 1-(1,1-dioxothian-4-yl)-5-phenyl-imidazole-2-thiol 1-(1,1-dioxothian-4-yl)-5-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)	1.44	6.24	-23.68	1	4	0	55	308.428	2	↓ MOL2 SDF SMILES Flexibase

36335670

Analogs

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Popular Name: 1-[4-(dimethylamino)phenyl]-1H-imidazole-2-thiol 1-[4-(dimethylamino)phenyl]-1H-i…

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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)	1.36	7.66	-17.94	1	3	0	24	219.313	2	↓ MOL2 SDF SMILES Flexibase

36335726

Analogs

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Popular Name: 1-(4-dimethylaminophenyl)-5-phenyl-imidazole-2-thiol 1-(4-dimethylaminophenyl)-5-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)	3.03	10.97	-16.33	1	3	0	24	295.411	3	↓ MOL2 SDF SMILES Flexibase

21540940

Analogs

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Popular Name: 4-(4-chlorophenyl)-1-[[4-(2-fluorophenyl)piperazin-1-yl]methyl]-3-(o-tolyl)imidazole-2-thione 4-(4-chlorophenyl)-1-[[4-(2-fluo…

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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)	6.01	15.32	-19.71	0	4	0	16	493.051	5	↓ MOL2 SDF SMILES Flexibase

36532515

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)	0.05	4.32	-13.51	1	4	0	47	172.209	2	↓ MOL2 SDF SMILES Flexibase

53636392

Analogs

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Popular Name: 3-phenyl-N-[[3-(propylcarbamoyl)phenyl]methyl]-2-thioxo-1H-imidazole-4-carboxamide 3-phenyl-N-[[3-(propylcarbamoyl)…

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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	9	-28.28	3	6	0	79	394.5	7	↓ MOL2 SDF SMILES Flexibase

22680938

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-2-thioxo-1H-imidazole-4-carb 3-(4-fluorophenyl)-N-[(2S)-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)	3.51	12.95	-46.86	3	5	1	54	445.609	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.51	10.7	-15.21	2	5	0	53	444.601	6	↓ MOL2 SDF SMILES Flexibase

22680941

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-2-thioxo-1H-imidazole-4-carb 3-(4-fluorophenyl)-N-[(2R)-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)	3.51	12.7	-46.6	3	5	1	54	445.609	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.51	10.46	-14.63	2	5	0	53	444.601	6	↓ MOL2 SDF SMILES Flexibase

22680943

Analogs

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Popular Name: N-[(2S)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2S)-2-(4-methyl-1-piperidyl)…

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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)	3.35	12.92	-47.45	3	5	1	54	427.619	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.35	10.66	-16.25	2	5	0	53	426.611	6	↓ MOL2 SDF SMILES Flexibase

22680946

Analogs

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Popular Name: N-[(2R)-2-(4-methyl-1-piperidyl)-2-(2-thienyl)ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2R)-2-(4-methyl-1-piperidyl)…

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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)	3.35	12.63	-47.05	3	5	1	54	427.619	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.35	10.39	-15.8	2	5	0	53	426.611	6	↓ MOL2 SDF SMILES Flexibase

22686619

Analogs

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Popular Name: N-[(2S)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2S)-2-(4-methoxyphenyl)-2-mo…

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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)	2.20	7.92	-18.51	2	7	0	72	438.553	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.20	9.87	-54.79	3	7	1	73	439.561	7	↓ MOL2 SDF SMILES Flexibase

22686623

Analogs

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Popular Name: N-[(2R)-2-(4-methoxyphenyl)-2-morpholino-ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2R)-2-(4-methoxyphenyl)-2-mo…

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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)	2.20	8.06	-19.04	2	7	0	72	438.553	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.20	10.3	-55.97	3	7	1	73	439.561	7	↓ MOL2 SDF SMILES Flexibase

12536452

Analogs

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Popular Name: N-[(2-chlorophenyl)methyl]-3-(4-fluorophenyl)-N-methyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2-chlorophenyl)methyl]-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)	3.12	11.07	-18.34	1	4	0	41	375.856	4	↓ MOL2 SDF SMILES Flexibase

12536713

Analogs

12631721
25778241

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-(3-phenyl-2-thioxo-1H-imidazol-4-yl)methanone [4-(3-fluorophenyl)sulfonylpiper…

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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)	1.87	8.64	-27.72	1	7	0	78	446.529	4	↓ MOL2 SDF SMILES Flexibase

12536889

Analogs

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Popular Name: (3-phenyl-2-thioxo-1H-imidazol-4-yl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone (3-phenyl-2-thioxo-1H-imidazol-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)	1.63	9.97	-20.01	1	7	0	65	399.52	2	↓ MOL2 SDF SMILES Flexibase

22703030

Analogs

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Popular Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-3-(4-fluorophenyl)-2-thioxo-1H-imidazole-4-carbo N-[(2S)-2-(3,4-dimethoxyphenyl)-…

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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)	1.96	7.75	-18.89	2	8	0	81	486.569	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.96	9.73	-57.24	3	8	1	82	487.577	8	↓ MOL2 SDF SMILES Flexibase

22703033

Analogs

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Popular Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-3-(4-fluorophenyl)-2-thioxo-1H-imidazole-4-carbo N-[(2R)-2-(3,4-dimethoxyphenyl)-…

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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)	1.96	7.61	-18.89	2	8	0	81	486.569	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.96	9.59	-57.18	3	8	1	82	487.577	8	↓ MOL2 SDF SMILES Flexibase

22703036

Analogs

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Popular Name: N-[(2S)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2S)-2-(3,4-dimethoxyphenyl)-…

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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)	1.79	7.68	-20.23	2	8	0	81	468.579	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.79	9.66	-57.95	3	8	1	82	469.587	8	↓ MOL2 SDF SMILES Flexibase

22703039

Analogs

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Popular Name: N-[(2R)-2-(3,4-dimethoxyphenyl)-2-morpholino-ethyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[(2R)-2-(3,4-dimethoxyphenyl)-…

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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)	1.79	7.9	-20.66	2	8	0	81	468.579	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.79	9.9	-58.68	3	8	1	82	469.587	8	↓ MOL2 SDF SMILES Flexibase

22703976

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-thioxo-1H-imidazole-4-carboxami 3-(4-fluorophenyl)-N-spiro[1,3-b…

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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)	4.41	11.36	-18.06	2	6	0	68	425.485	3	↓ MOL2 SDF SMILES Flexibase

22703979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-thioxo-1H-imidazole-4-carboxamide 3-phenyl-N-spiro[1,3-benzodioxol…

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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)	4.25	11.29	-18.73	2	6	0	68	407.495	3	↓ MOL2 SDF SMILES Flexibase

22737590

Analogs

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Popular Name: indolin-1-yl-(3-phenyl-2-thioxo-1H-imidazol-4-yl)methanone indolin-1-yl-(3-phenyl-2-thioxo-…

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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)	2.62	10.29	-20.41	1	4	0	41	321.405	2	↓ MOL2 SDF SMILES Flexibase

22742016

Analogs

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Popular Name: N-[4-(methylcarbamoyl)phenyl]-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-[4-(methylcarbamoyl)phenyl]-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)	1.58	7.29	-24.03	3	6	0	79	352.419	4	↓ MOL2 SDF SMILES Flexibase

22744567

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-(3-iodo-4-methyl-phenyl)-2-thioxo-1H-imidazole-4-carboxamide 3-(4-fluorophenyl)-N-(3-iodo-4-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)	4.01	10.88	-16	2	4	0	50	453.28	3	↓ MOL2 SDF SMILES Flexibase

22744571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-iodo-4-methyl-phenyl)-3-phenyl-2-thioxo-1H-imidazole-4-carboxamide N-(3-iodo-4-methyl-phenyl)-3-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)	3.84	10.81	-16.88	2	4	0	50	435.29	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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