ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Acc H-bond acceptors	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.76	1.37	-10.46	4	44	366.848	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.76	0.49	-8.65	4	44	366.848	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.28	0.38	-17.22	4	44	366.848	4	↓ MOL2 SDF SMILES Flexibase

11535792

Analogs

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Popular Name: (2Z)-2-(3-pyridylmethylene)-6,7,8,9-tetrahydro-5H-imidazo[3,2-a]azepin-3-one (2Z)-2-(3-pyridylmethylene)-6,7,…

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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)	1.12	7.15	-10.87	0	4	0	48	241.294	1	↓ MOL2 SDF SMILES Flexibase

18950793

Analogs

8953079
8953085

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Popular Name: 2-[(4E)-1-(3-chloro-4-methoxy-phenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-N-prop-2-yn 2-[(4E)-1-(3-chloro-4-methoxy-ph…

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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)	3.39	9.15	-14.56	1	6	0	73	445.953	7	↓ MOL2 SDF SMILES Flexibase

18951052

Analogs

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Popular Name: (5Z)-3-(4-chloro-3-methoxy-phenyl)-5-[(4-methoxyphenyl)methylene]-2-[(1-propyltetrazol-5-yl)methylsu (5Z)-3-(4-chloro-3-methoxy-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)	4.24	11.65	-16.66	0	9	0	97	498.996	9	↓ MOL2 SDF SMILES Flexibase

18953731

Analogs

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Popular Name: 2-[(4Z)-4-[(4-chlorophenyl)methylene]-1-(2,3-dichlorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-prop-2-y 2-[(4Z)-4-[(4-chlorophenyl)methy…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.77	12.62	-14.39	1	5	0	64	478.788	6	↓ MOL2 SDF SMILES Flexibase

18953733

Analogs

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Popular Name: 2-[(4Z)-4-[(4-isopropylphenyl)methylene]-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanyl-N-prop-2-ynyl-aceta 2-[(4Z)-4-[(4-isopropylphenyl)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)	4.58	13.41	-13.54	1	5	0	64	431.561	7	↓ MOL2 SDF SMILES Flexibase

18954165

Analogs

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Popular Name: 2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-[(2-fluorophenyl)methyl]-N-m 2-[(4Z)-4-benzylidene-1-(4-fluor…

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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	15.49	-16.72	0	5	0	55	477.536	7	↓ MOL2 SDF SMILES Flexibase

18957067

Analogs

9501520

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Popular Name: (5Z)-2-butylsulfanyl-3-[4-(difluoromethoxy)phenyl]-5-[(4-methoxyphenyl)methylene]imidazol-4-one (5Z)-2-butylsulfanyl-3-[4-(diflu…

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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)	5.46	12.32	-12.4	0	5	0	53	432.492	9	↓ MOL2 SDF SMILES Flexibase

18957068

Analogs

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Popular Name: 2-[(4Z)-1-[4-(difluoromethoxy)phenyl]-4-[(4-methoxyphenyl)methylene]-5-oxo-imidazol-2-yl]sulfanyl-N- 2-[(4Z)-1-[4-(difluoromethoxy)ph…

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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	9.7	-16.4	1	7	0	82	471.485	9	↓ MOL2 SDF SMILES Flexibase

18960352

Analogs

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Popular Name: 2-[[(4Z)-1-benzyl-4-[(4-methoxyphenyl)methylene]-5-oxo-imidazol-2-yl]sulfanylmethyl]pyrido[2,1-b]pyr 2-[[(4Z)-1-benzyl-4-[(4-methoxyp…

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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)	4.68	14.52	-19.29	0	7	0	79	482.565	7	↓ MOL2 SDF SMILES Flexibase

19863902

Analogs

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Popular Name: (NZ)-N-[(4E)-4-[(3-nitrophenyl)methylene]-5-oxo-imidazolidin-2-ylidene]acetamide (NZ)-N-[(4E)-4-[(3-nitrophenyl)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)	1.20	3.74	-44.58	1	8	-1	127	273.228	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.57	5.17	-44.51	1	8	-1	119	273.228	3	↓ MOL2 SDF SMILES Flexibase

36144752

Analogs

35989311

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Popular Name: (2S)-2-[4-[(Z)-(5-oxo-2-thioxo-imidazolidin-4-ylidene)methyl]phenoxy]propanoic (2S)-2-[4-[(Z)-(5-oxo-2-thioxo-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)	1.47	6.46	-90.9	1	6	-2	95	290.3	4	↓ MOL2 SDF SMILES Flexibase

36151596

Analogs

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Popular Name: 2-chloro-5-[[(4Z)-4-[(4-methylsulfanylphenyl)methylene]-5-oxo-imidazol-1-yl]sulfamoyl]benzoic 2-chloro-5-[[(4Z)-4-[(4-methylsu…

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
LEF-1-B	Anthrax Lethal Factor (cluster #1 Of 2), Bacterial	Bacteria	4700	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
LEF_BACAN	P15917	Anthrax Lethal Factor, Bacan	2500	0.27	Binding ≤ 10μM

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	9.05	-51.52	1	8	-1	121	450.905	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.44	8.9	-106.76	0	8	-2	123	449.897	6	↓ MOL2 SDF SMILES Flexibase

20891668

Analogs

20891672

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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)	4.88	13.26	-12.93	0	6	0	70	424.522	7	↓ MOL2 SDF SMILES Flexibase

20891672

Analogs

20891668

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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)	4.88	13.52	-12.62	0	6	0	70	424.522	7	↓ MOL2 SDF SMILES Flexibase

12036256

Analogs

12036261

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide 2-[4-benzylidene-1-(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)	4.33	0.69	-22.59	2	7	0	93	488.544	6	↓ MOL2 SDF SMILES Flexibase

12036261

Analogs

12036256

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-(phenylcarbamoyl)propanamide 2-[4-benzylidene-1-(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)	4.33	0.74	-22.38	2	7	0	93	488.544	6	↓ MOL2 SDF SMILES Flexibase

12036326

Analogs

12036329

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]-N-methy 2-[4-benzylidene-1-(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)	4.99	3.46	-15.17	0	5	0	55	491.563	7	↓ MOL2 SDF SMILES Flexibase

12036329

Analogs

12036326

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Popular Name: 2-[4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-[1-(4-fluorophenyl)ethyl]-N-methy 2-[4-benzylidene-1-(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)	4.99	3.47	-15.01	0	5	0	55	491.563	7	↓ MOL2 SDF SMILES Flexibase

36214038

Analogs

36214042

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Popular Name: (2S)-2-[(4Z)-4-[(4-chlorophenyl)methylene]-1-(2,3-dichlorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-cyc (2S)-2-[(4Z)-4-[(4-chlorophenyl)…

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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)	5.34	13.78	-13.92	1	5	0	64	494.831	6	↓ MOL2 SDF SMILES Flexibase

36214042

Analogs

36214038

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Popular Name: (2R)-2-[(4Z)-4-[(4-chlorophenyl)methylene]-1-(2,3-dichlorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-cyc (2R)-2-[(4Z)-4-[(4-chlorophenyl)…

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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)	5.34	13.7	-14.2	1	5	0	64	494.831	6	↓ MOL2 SDF SMILES Flexibase

21540745

Analogs

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Popular Name: (E)-3-amino-2-[2-[(4Z)-4-[(4-isopropylphenyl)methylene]-5-oxo-1-(p-tolyl)imidazol-2-yl]sulfanylacety (E)-3-amino-2-[2-[(4Z)-4-[(4-iso…

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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)	4.62	14.02	-15.69	2	6	0	102	458.587	7	↓ MOL2 SDF SMILES Flexibase

12401247

Analogs

8863645

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Popular Name: (2S)-2-(4-chlorophenyl)-3-methyl-N-[(4Z)-5-oxo-2-phenyl-4-(2-pyridylmethylene)imidazol-1-yl]butanami (2S)-2-(4-chlorophenyl)-3-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)	5.06	14.07	-21.77	1	6	0	77	458.949	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	5.24	12.37	-61.59	0	6	-1	83	457.941	6	↓ MOL2 SDF SMILES Flexibase

12401638

Analogs

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Popular Name: (5Z)-3-[2-(1H-benzimidazol-2-yl)ethyl]-5-[(4-isopropoxyphenyl)methylene]-2-phenyl-imidazol-4-one (5Z)-3-[2-(1H-benzimidazol-2-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)	5.47	0.08	-15.52	1	6	0	73	450.542	7	↓ MOL2 SDF SMILES Flexibase

12538103

Analogs

2626611
9714825

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Popular Name: 2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-[(3S)-1,1-dioxothiolan-3-yl] 2-[(4Z)-4-benzylidene-1-(4-fluor…

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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	10.27	-22.59	0	7	0	89	487.578	6	↓ MOL2 SDF SMILES Flexibase

12538146

Analogs

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Popular Name: (5E)-5-benzylidene-3-(4-fluorophenyl)-2-(3-pyridylmethylsulfanyl)imidazol-4-one (5E)-5-benzylidene-3-(4-fluoroph…

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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)	3.88	12.54	-10.51	0	4	0	48	389.455	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.88	12.82	-43.23	1	4	1	49	390.463	5	↓ MOL2 SDF SMILES Flexibase

22697181

Analogs

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Popular Name: (5E)-5-benzylidene-3-(4-fluorophenyl)-2-(2-morpholinoethylsulfanyl)imidazol-4-one (5E)-5-benzylidene-3-(4-fluoroph…

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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)	3.39	9.82	-9.54	0	5	0	47	411.502	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	12.17	-48.26	1	5	1	49	412.51	6	↓ MOL2 SDF SMILES Flexibase

12539423

Analogs

12539425
2642199
2642205

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Popular Name: (5Z)-3-[4-(difluoromethoxy)phenyl]-5-(2-furylmethylene)-2-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] (5Z)-3-[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)	4.63	13.51	-20.58	0	7	0	78	509.534	7	↓ MOL2 SDF SMILES Flexibase

12539425

Analogs

12539423
2642199

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Popular Name: (5Z)-3-[4-(difluoromethoxy)phenyl]-5-(2-furylmethylene)-2-[(1S)-2-indolin-1-yl-1-methyl-2-oxo-ethyl] (5Z)-3-[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)	4.63	13.58	-20.72	0	7	0	78	509.534	7	↓ MOL2 SDF SMILES Flexibase

12539627

Analogs

8953068
8953085
8953137

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Popular Name: 2-[(4Z)-1-(3-chloro-4-methoxy-phenyl)-5-oxo-4-(2-thienylmethylene)imidazol-2-yl]sulfanyl-N-(4-methox 2-[(4Z)-1-(3-chloro-4-methoxy-ph…

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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)	4.99	11.13	-17.92	1	7	0	82	514.028	8	↓ MOL2 SDF SMILES Flexibase

13010529

Analogs

13010531

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Popular Name: (2R)-2-[(4Z)-1-(3-chloro-4-methoxy-phenyl)-4-(2-furylmethylene)-5-oxo-imidazol-2-yl]sulfanyl-N-propy (2R)-2-[(4Z)-1-(3-chloro-4-metho…

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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)	3.83	9.65	-16.48	1	7	0	86	447.944	8	↓ MOL2 SDF SMILES Flexibase

13010531

Analogs

13010529

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Popular Name: (2S)-2-[(4Z)-1-(3-chloro-4-methoxy-phenyl)-4-(2-furylmethylene)-5-oxo-imidazol-2-yl]sulfanyl-N-propy (2S)-2-[(4Z)-1-(3-chloro-4-metho…

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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)	3.83	9.64	-16.9	1	7	0	86	447.944	8	↓ MOL2 SDF SMILES Flexibase

22713809

Analogs

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Popular Name: 2-[(4Z)-4-benzylidene-1-(4-fluorophenyl)-5-oxo-imidazol-2-yl]sulfanyl-N-(2-furylmethyl)-N-methyl-ace 2-[(4Z)-4-benzylidene-1-(4-fluor…

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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)	3.52	13.65	-14.75	0	6	0	68	449.507	7	↓ MOL2 SDF SMILES Flexibase

13013338

Analogs

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Popular Name: (5Z)-2-(3-hydroxypropylsulfanyl)-3-(3-methoxyphenyl)-5-[(4-methoxyphenyl)methylene]imidazol-4-one (5Z)-2-(3-hydroxypropylsulfanyl)…

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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	7.94	-14.77	1	6	0	74	398.484	8	↓ MOL2 SDF SMILES Flexibase

13014412

Analogs

16916822

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Popular Name: (5Z)-2-[(4-chlorophenyl)methylsulfanyl]-3-(m-tolyl)-5-(p-tolylmethylene)imidazol-4-one (5Z)-2-[(4-chlorophenyl)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)	6.71	16.72	-10.54	0	3	0	35	432.976	5	↓ MOL2 SDF SMILES Flexibase

13014414

Analogs

16916822

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(2-chlorophenyl)-5-[(4-chlorophenyl)methylene]-2-[(4-chlorophenyl)methylsulfanyl]imidazol-4-o (5Z)-3-(2-chlorophenyl)-5-[(4-ch…

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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)	7.15	16.8	-10.63	0	3	0	35	473.812	5	↓ MOL2 SDF SMILES Flexibase

13014417

Analogs

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Popular Name: (5E)-3-(2-ethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-(p-tolylmethylene)imidazol-4-one (5E)-3-(2-ethylphenyl)-2-[(4-flu…

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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)	6.64	16.25	-11.15	0	3	0	35	430.548	6	↓ MOL2 SDF SMILES Flexibase

13014420

Analogs

9169230

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Popular Name: (5Z)-3-(2-chlorophenyl)-2-(2-oxo-2-pyrrolidin-1-yl-ethyl)sulfanyl-5-(p-tolylmethylene)imidazol-4-one (5Z)-3-(2-chlorophenyl)-2-(2-oxo…

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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)	4.40	14.2	-15.82	0	5	0	55	439.968	5	↓ MOL2 SDF SMILES Flexibase

13014424

Analogs

16916822

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-(4-chlorophenyl)-2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)methylene]imidazol-4-o (5Z)-3-(4-chlorophenyl)-2-[(4-ch…

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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)	6.47	16.05	-8.96	0	3	0	35	457.357	5	↓ MOL2 SDF SMILES Flexibase

13014426

Analogs

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Popular Name: (5Z)-2-[(4-fluorophenyl)methylsulfanyl]-5-(p-tolylmethylene)-3-[4-(trifluoromethoxy)phenyl]imidazol- (5Z)-2-[(4-fluorophenyl)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)	6.53	15.45	-9.19	0	4	0	44	486.49	7	↓ MOL2 SDF SMILES Flexibase

13014429

Analogs

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Popular Name: (5Z)-3-(3,5-dimethylphenyl)-2-[(4-fluorophenyl)methylsulfanyl]-5-[(4-methoxyphenyl)methylene]imidazo (5Z)-3-(3,5-dimethylphenyl)-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)	6.42	15.65	-12.05	0	4	0	44	446.547	6	↓ MOL2 SDF SMILES Flexibase

13014432

Analogs

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Popular Name: (5E)-2-[(4-chlorophenyl)methylsulfanyl]-5-[(4-fluorophenyl)methylene]-3-(o-tolyl)imidazol-4-one (5E)-2-[(4-chlorophenyl)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)	6.40	15.81	-10.62	0	3	0	35	436.939	5	↓ MOL2 SDF SMILES Flexibase

13014434

Analogs

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Popular Name: (5E)-5-[(4-chlorophenyl)methylene]-2-[(4-chlorophenyl)methylsulfanyl]-3-(2,4-dimethylphenyl)imidazol (5E)-5-[(4-chlorophenyl)methylen…

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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)	7.34	16.93	-9.83	0	3	0	35	467.421	5	↓ MOL2 SDF SMILES Flexibase

13014438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-5-(p-tolylmethylene)-2-(p-tolylmethylsulfanyl)-3-[4-(trifluoromethoxy)phenyl]imidazol-4-one (5Z)-5-(p-tolylmethylene)-2-(p-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)	6.82	16.06	-8.16	0	4	0	44	482.527	7	↓ MOL2 SDF SMILES Flexibase

13014441

Analogs

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Popular Name: (5Z)-5-[(4-chlorophenyl)methylene]-3-cyclohexyl-2-[(4-fluorophenyl)methylsulfanyl]imidazol-4-one (5Z)-5-[(4-chlorophenyl)methylen…

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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)	6.42	15.49	-8.43	0	3	0	35	428.96	5	↓ MOL2 SDF SMILES Flexibase

13128367

Analogs

13128368
13128369

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Popular Name: (5E)-3-(5-chloro-2-methoxy-phenyl)-2-[2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]sulfanyl-5- (5E)-3-(5-chloro-2-methoxy-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)	4.64	11.83	-15.62	0	7	0	74	520.076	6	↓ MOL2 SDF SMILES Flexibase

13128368

Analogs

13128369
13128367

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-(5-chloro-2-methoxy-phenyl)-2-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]sulfanyl-5- (5E)-3-(5-chloro-2-methoxy-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)	4.64	11.8	-15.4	0	7	0	74	520.076	6	↓ MOL2 SDF SMILES Flexibase

13128369

Analogs

13128367
13128368

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-(5-chloro-2-methoxy-phenyl)-2-[2-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-oxo-ethyl]sulfanyl-5- (5E)-3-(5-chloro-2-methoxy-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)	4.64	11.65	-15.5	0	7	0	74	520.076	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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