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)	1.88	7.51	-26.54	2	9	0	122	401.4	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	7.99	-45.85	1	9	-1	125	400.392	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.88	7.98	-51.38	1	9	-1	125	400.392	4	↓ MOL2 SDF SMILES Flexibase

22665417

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)	2.26	10.57	-22.72	1	7	0	83	426.494	8	↓ MOL2 SDF SMILES Flexibase

22666754

Analogs

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Popular Name: (5E)-3-(4-chloro-2-methyl-phenyl)-1-methyl-5-[(4-methylsulfonylphenyl)methylene]-2-thioxo-imidazolid (5E)-3-(4-chloro-2-methyl-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)	2.63	10.66	-23.42	0	5	0	61	420.943	3	↓ MOL2 SDF SMILES Flexibase

22666993

Analogs

6789217

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Popular Name: (5E)-1-methyl-3-(2-naphthyl)-5-(4-pyridylmethylene)-2-thioxo-imidazolidin-4-one (5E)-1-methyl-3-(2-naphthyl)-5-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	12.11	-17.85	0	4	0	40	345.427	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.60	12.57	-51.29	1	4	1	41	346.435	2	↓ MOL2 SDF SMILES Flexibase

12401658

Analogs

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Popular Name: (5Z)-5-[(2-isopropoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one (5Z)-5-[(2-isopropoxyphenyl)meth…

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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)	1.83	-2.19	-9.54	2	4	0	58	262.334	3	↓ MOL2 SDF SMILES Flexibase

12403070

Analogs

71603

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Popular Name: (5Z)-5-[(2-ethoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one (5Z)-5-[(2-ethoxyphenyl)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)	1.47	5.25	-9.73	2	4	0	58	248.307	3	↓ MOL2 SDF SMILES Flexibase

12403089

Analogs

39973

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Popular Name: (5Z)-5-[(4-fluorophenyl)methylene]-2-thioxo-imidazolidin-4-one (5Z)-5-[(4-fluorophenyl)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)	1.24	5.05	-11.23	2	3	0	49	222.244	1	↓ MOL2 SDF SMILES Flexibase

13014406

Analogs

21698058
21698084

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Popular Name: (5Z)-5-[(4-methoxyphenyl)methylene]-3-(o-tolyl)-2-sulfanyl-imidazol-4-one (5Z)-5-[(4-methoxyphenyl)methyle…

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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	10.65	-14.52	1	4	0	47	324.405	3	↓ MOL2 SDF SMILES Flexibase

22742757

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)	4.53	16.57	-15.29	0	5	0	53	485.392	6	↓ MOL2 SDF SMILES Flexibase

14010471

Analogs

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Popular Name: (5Z)-5-[(3-chloro-4-hydroxy-phenyl)methylene]-2-thioxo-imidazolidin-4-one (5Z)-5-[(3-chloro-4-hydroxy-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)	1.47	2.34	-17.29	3	4	0	69	254.698	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.47	3	-50.32	2	4	-1	72	253.69	1	↓ MOL2 SDF SMILES Flexibase

14011372

Analogs

1208553

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Popular Name: (5Z)-5-[[3-bromo-4-[(4-fluorophenyl)methoxy]phenyl]methylene]-2-thioxo-imidazolidin-4-one (5Z)-5-[[3-bromo-4-[(4-fluorophe…

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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)	3.63	9.01	-16.04	2	4	0	58	407.264	4	↓ MOL2 SDF SMILES Flexibase

2079979

Analogs

17123265

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Popular Name: 2-[2-[(Z)-(5-keto-2-thioxo-imidazolidin-4-ylidene)methyl]-6-methoxy-phenoxy]acetonitrile 2-[2-[(Z)-(5-keto-2-thioxo-imida…

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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)	0.69	-0.95	-15.6	2	6	0	90	289.316	4	↓ MOL2 SDF SMILES Flexibase

2089238

Analogs

3464435

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Popular Name: 3-ethyl-5-[3-methoxy-4-(2-propynyloxy)benzylidene]-2-thioxo-4-imidazolidinone 3-ethyl-5-[3-methoxy-4-(2-propyn…

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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)	1.33	1.11	-14.13	1	5	0	56	316.382	5	↓ MOL2 SDF SMILES Flexibase

2093040

Analogs

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Popular Name: 5-(4-methoxy-3-methylbenzylidene)-2-thioxo-4-imidazolidinone 5-(4-methoxy-3-methylbenzylidene…

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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)	1.51	5.03	-10.97	2	4	0	58	248.307	2	↓ MOL2 SDF SMILES Flexibase

14230775

Analogs

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Popular Name: (5E)-3-(3-chlorophenyl)-5-(2-furylmethylene)-2-thioxo-imidazolidin-4-one (5E)-3-(3-chlorophenyl)-5-(2-fur…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.55	9.97	-15.75	1	4	0	51	304.758	2	↓ MOL2 SDF SMILES Flexibase

14232119

Analogs

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Popular Name: (5E)-5-[(2,3-dimethoxyphenyl)methylene]-3-propyl-2-thioxo-imidazolidin-4-one (5E)-5-[(2,3-dimethoxyphenyl)met…

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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	7.63	-10.46	1	5	0	56	306.387	5	↓ MOL2 SDF SMILES Flexibase

2783525

Analogs

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Popular Name: 5-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methylene]-3-(4-fluorophenyl)-2-thioxo-imidazolidin-4-one 5-[(3,5-dimethyl-1-phenyl-pyrazo…

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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)	2.68	1.64	-13.84	1	5	0	55	392.459	3	↓ MOL2 SDF SMILES Flexibase

2783596

Analogs

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Popular Name: (5Z)-5-[(1-ethylpyrazol-4-yl)methylene]-3-(m-tolyl)-2-thioxo-4-imidazolidinone (5Z)-5-[(1-ethylpyrazol-4-yl)met…

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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)	1.81	0.51	-18.22	1	5	0	55	312.398	3	↓ MOL2 SDF SMILES Flexibase

2784672

Analogs

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Popular Name: 5-[[5-(2-chlorophenyl)-2-furyl]methylene]-3-(m-tolyl)-2-thioxo-imidazolidin-4-one 5-[[5-(2-chlorophenyl)-2-furyl]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)	4.86	0.59	-14.4	1	4	0	50	394.883	3	↓ MOL2 SDF SMILES Flexibase

14235749

Analogs

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Popular Name: (5Z)-5-[(2-bromo-5-hydroxy-4-methoxy-phenyl)methylene]-3-(2-furylmethyl)-2-thioxo-imidazolidin-4-one (5Z)-5-[(2-bromo-5-hydroxy-4-met…

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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)	2.08	6.74	-11.46	2	6	0	80	409.261	4	↓ MOL2 SDF SMILES Flexibase

2784967

Analogs

12601686

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Popular Name: (5Z)-5-[(1-methylpyrazol-4-yl)methylene]-3-(m-tolyl)-2-thioxo-4-imidazolidinone (5Z)-5-[(1-methylpyrazol-4-yl)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)	1.44	0.45	-18.39	1	5	0	55	298.371	2	↓ MOL2 SDF SMILES Flexibase

2784998

Analogs

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Popular Name: acetic-acid-[5-[(Z)-(5-keto-1-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-benzyl]-ester acetic-acid-[5-[(Z)-(5-keto-1-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)	2.45	1.3	-16.58	1	6	0	73	382.441	6	↓ MOL2 SDF SMILES Flexibase

2785805

Analogs

4458793
4725618
6398715
12652875
13915157

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Popular Name: (5Z)-5-(2,4-dimethoxybenzylidene)-3-ethyl-1-(p-tolyl)-2-thioxo-4-imidazolidinone (5Z)-5-(2,4-dimethoxybenzylidene…

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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)	3.36	1.5	-10.69	0	5	0	45	382.485	5	↓ MOL2 SDF SMILES Flexibase

2786090

Analogs

4674764

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Popular Name: (5Z)-5-(2,4-dichlorobenzylidene)-3-ethyl-1-(p-tolyl)-2-thioxo-4-imidazolidinone (5Z)-5-(2,4-dichlorobenzylidene)…

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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)	4.60	1.08	-7.54	0	3	0	26	391.323	3	↓ MOL2 SDF SMILES Flexibase

2786531

Analogs

2851962
4550843
6007688
1440353

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Popular Name: (5E)-5-(2-chlorobenzylidene)-1,3-diphenyl-2-thioxo-4-imidazolidinone (5E)-5-(2-chlorobenzylidene)-1,3…

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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)	4.39	15.5	-11.48	0	3	0	27	390.895	3	↓ MOL2 SDF SMILES Flexibase

2788076

Analogs

3662745
5898229
9451393
14187620
15255218

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Popular Name: 3-cyclopropyl-5-[(3,4-dimethoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one 3-cyclopropyl-5-[(3,4-dimethoxyp…

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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)	1.16	-0.57	-12.31	1	5	0	56	304.371	4	↓ MOL2 SDF SMILES Flexibase

2788472

Analogs

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Popular Name: (5Z)-3-cyclopropyl-5-[(1-ethylpyrazol-4-yl)methylene]-2-thioxo-4-imidazolidinone (5Z)-3-cyclopropyl-5-[(1-ethylpy…

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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)	0.27	-0.78	-15.52	1	5	0	55	262.338	3	↓ MOL2 SDF SMILES Flexibase

2791610

Analogs

2804563
2804665
2790061

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Popular Name: (5Z)-5-[[5-[(4-bromo-2-chloro-phenoxy)methyl]-2-furyl]methylene]-3-ethyl-2-thioxo-4-imidazolidinone (5Z)-5-[[5-[(4-bromo-2-chloro-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)	4.09	10.64	-15.25	1	5	0	60	441.734	5	↓ MOL2 SDF SMILES Flexibase

2791879

Analogs

2792179
2792356
2788941
2790850
2791788

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Popular Name: (5E)-5-(3-ethoxy-4-hydroxy-benzylidene)-3-(3-methoxypropyl)-2-thioxo-4-imidazolidinone (5E)-5-(3-ethoxy-4-hydroxy-benzy…

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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	5.4	-19.9	2	6	0	76	336.413	7	↓ MOL2 SDF SMILES Flexibase

2792074

Analogs

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Popular Name: (5E)-5-(3-ethoxy-4-hydroxy-benzylidene)-3-(m-tolyl)-2-thioxo-4-imidazolidinone (5E)-5-(3-ethoxy-4-hydroxy-benzy…

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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)	2.77	8.69	-21.18	2	5	0	67	354.431	4	↓ MOL2 SDF SMILES Flexibase

2792179

Analogs

2791879

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Popular Name: (5Z)-5-[4-(difluoromethoxy)-3-ethoxy-benzylidene]-3-ethyl-2-thioxo-4-imidazolidinone (5Z)-5-[4-(difluoromethoxy)-3-et…

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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	8.3	-14.26	1	5	0	56	342.367	6	↓ MOL2 SDF SMILES Flexibase

2792248

Analogs

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Popular Name: (5Z)-3-butyl-5-[4-(difluoromethoxy)-3-ethoxy-benzylidene]-2-thioxo-4-imidazolidinone (5Z)-3-butyl-5-[4-(difluorometho…

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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)	3.17	9.84	-13.94	1	5	0	56	370.421	8	↓ MOL2 SDF SMILES Flexibase

14244737

Analogs

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Popular Name: (5Z)-5-[(2-benzyloxyphenyl)methylene]-3-(2-furylmethyl)-2-thioxo-imidazolidin-4-one (5Z)-5-[(2-benzyloxyphenyl)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)	3.60	12.38	-12.53	1	5	0	60	390.464	6	↓ MOL2 SDF SMILES Flexibase

14245842

Analogs

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Popular Name: (5E)-3-butyl-5-[(2,3-dimethoxyphenyl)methylene]-2-thioxo-imidazolidin-4-one (5E)-3-butyl-5-[(2,3-dimethoxyph…

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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)	2.41	8.41	-10.41	1	5	0	56	320.414	6	↓ MOL2 SDF SMILES Flexibase

2798662

Analogs

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Popular Name: (5E)-5-(2-ethoxy-5-iodo-benzylidene)-3-methyl-1-phenyl-2-thioxo-4-imidazolidinone (5E)-5-(2-ethoxy-5-iodo-benzylid…

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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)	3.93	12.99	-10.52	0	4	0	36	464.328	4	↓ MOL2 SDF SMILES Flexibase

2798727

Analogs

2820828
3659493
4883113
5947754
9189170

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Popular Name: acetic-acid-[4-[(E)-(5-keto-1-methyl-3-phenyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-methoxy-phen acetic-acid-[4-[(E)-(5-keto-1-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)	1.63	2.88	-16.3	0	6	0	62	382.441	5	↓ MOL2 SDF SMILES Flexibase

2798797

Analogs

3462640
4363981
475221

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Popular Name: 2-[4-[(E)-(1-allyl-5-keto-3-methyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-chloro-6-ethoxy-phenoxy 2-[4-[(E)-(1-allyl-5-keto-3-meth…

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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)	1.42	-1.25	-23.87	2	7	0	88	409.895	8	↓ MOL2 SDF SMILES Flexibase

2799075

Analogs

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Popular Name: 2-[4-[(E)-(1-benzyl-5-keto-3-methyl-2-thioxo-imidazolidin-4-ylidene)methyl]-2-chloro-6-methoxy-pheno 2-[4-[(E)-(1-benzyl-5-keto-3-met…

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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)	1.99	-1.51	-23.69	2	7	0	88	445.928	7	↓ MOL2 SDF SMILES Flexibase

2799080

Analogs

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Popular Name: (5E)-3-allyl-5-(2-bromo-5-methoxy-4-propoxy-benzylidene)-1-(4-methoxyphenyl)-2-thioxo-4-imidazolidin (5E)-3-allyl-5-(2-bromo-5-methox…

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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)	4.45	13.91	-10.52	0	6	0	55	517.445	9	↓ MOL2 SDF SMILES Flexibase

2799218

Analogs

2895350
5947754
8399651
8564873
20227994

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-allyl-5-(2-bromo-5-ethoxy-4-methoxy-benzylidene)-1-(p-tolyl)-2-thioxo-4-imidazolidinone (5E)-3-allyl-5-(2-bromo-5-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)	4.34	14.5	-10.15	0	5	0	45	487.419	7	↓ MOL2 SDF SMILES Flexibase

2799447

Analogs

2828328
5947754
8207975
9295804
679322

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-3-allyl-5-(2-chloro-4-isopropoxy-5-methoxy-benzylidene)-1-phenyl-2-thioxo-4-imidazolidinone (5E)-3-allyl-5-(2-chloro-4-isopr…

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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)	4.13	14.37	-10.8	0	5	0	45	442.968	7	↓ MOL2 SDF SMILES Flexibase

2799464

Analogs

4882794
4893629
531081

Draw Identity 99% 90% 80% 70%

Popular Name: (5Z)-3-methyl-1-phenyl-5-(2-thenylidene)-2-thioxo-4-imidazolidinone (5Z)-3-methyl-1-phenyl-5-(2-then…

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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	0.31	-10.83	0	3	0	26	300.408	2	↓ MOL2 SDF SMILES Flexibase

2799541

Analogs

2828328
6007686
6962906
13914656
32111793

Draw Identity 99% 90% 80% 70%

Popular Name: (5E)-5-(4-allyloxy-2-chloro-3-methoxy-benzylidene)-1-methyl-3-phenyl-2-thioxo-4-imidazolidinone (5E)-5-(4-allyloxy-2-chloro-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)	3.58	1.95	-13.38	0	5	0	45	414.914	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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