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ZINC Item

Suppliers, Protomers, & Similar Substances

8980424

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-(2-(2-(4-bromophenoxy)ethoxy)benzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (Z)-2-(2-(2-(4-bromophenoxy)etho…

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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)	6.21	-0.57	-16.9	0	5	0	52	493.382	6	↓ MOL2 SDF SMILES Flexibase

17142826

Analogs

627771

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-(5-bromo-2-oxo-indolin-3-ylidene)thiazolo[3,2-a]benzimidazol-1-one (2E)-2-(5-bromo-2-oxo-indolin-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)	4.26	9.2	-15.69	1	5	0	67	398.241	0	↓ MOL2 SDF SMILES Flexibase

19727286

Analogs

8426040

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[[4-[(4-fluorophenyl)methoxy]-3-methoxy-phenyl]methylene]-5,6-dimethyl-thiazolo[3,2-a]benzimi (2E)-2-[[4-[(4-fluorophenyl)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)	5.91	14.08	-16.33	0	5	0	53	460.53	5	↓ MOL2 SDF SMILES Flexibase

22358474

Analogs

9730756

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-(3,5-dimethoxy-4-(2-(m-tolyloxy)ethoxy)benzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (Z)-2-(3,5-dimethoxy-4-(2-(m-tol…

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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)	5.44	12.76	-18.88	0	7	0	71	488.565	8	↓ MOL2 SDF SMILES Flexibase

22358585

Analogs

6244808

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-bromo-6-methoxy-4-((3-oxobenzo[4,5]imidazo[2,1-b]thiazol-2(3H)-ylidene)methyl)phenyl methanesulfonate (Z)-2-bromo-6-methoxy-4-((3-oxob…

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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)	3.66	7.4	-24.27	0	7	0	87	481.349	4	↓ MOL2 SDF SMILES Flexibase

22364141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-(4-(3-(2-methoxyphenoxy)propoxy)benzylidene)benzo[4,5]imidazo[2,1-b]thiazol-3(2H)-one (Z)-2-(4-(3-(2-methoxyphenoxy)pr…

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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)	5.33	12.69	-19.7	0	6	0	62	458.539	8	↓ MOL2 SDF SMILES Flexibase

13282021

Analogs

13003545

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[[4-(2-phenoxyethoxy)phenyl]methylene]thiazolo[3,2-a]benzimidazol-1-one (2E)-2-[[4-(2-phenoxyethoxy)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)	5.45	12.49	-18.52	0	5	0	53	414.486	6	↓ MOL2 SDF SMILES Flexibase

13282022

Analogs

8656886

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[[4-(m-tolylmethoxy)phenyl]methylene]thiazolo[3,2-a]benzimidazol-1-one (2E)-2-[[4-(m-tolylmethoxy)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)	5.78	13.39	-15.47	0	4	0	44	398.487	4	↓ MOL2 SDF SMILES Flexibase

13282027

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(3,5-ditert-butyl-4-hydroxy-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2E)-2-[(3,5-ditert-butyl-4-hydr…

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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)	6.76	12.16	-11.61	1	4	0	55	406.551	3	↓ MOL2 SDF SMILES Flexibase

13282032

Analogs

15746104
6459209
9679621

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(E)-(1-oxothiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] [4-[(E)-(1-oxothiazolo[3,2-a]ben…

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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)	6.02	14.32	-17.98	0	5	0	61	412.47	4	↓ MOL2 SDF SMILES Flexibase

13408250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(5-bromo-2-methoxy-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(5-bromo-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)	4.50	9.08	-12.81	0	4	0	44	387.258	2	↓ MOL2 SDF SMILES Flexibase

13424056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[(Z)-(1-oxothiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] [4-[(Z)-(1-oxothiazolo[3,2-a]ben…

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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)	5.01	11.23	-21.98	0	9	0	124	493.522	5	↓ MOL2 SDF SMILES Flexibase

13424479

Analogs

6458891

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-allyl-6-methoxy-4-[(Z)-(1-oxothiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]acetic 2-[2-allyl-6-methoxy-4-[(Z)-(1-o…

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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	10.91	-60.33	0	7	-1	93	421.454	7	↓ MOL2 SDF SMILES Flexibase

13798980

Analogs

9187207

Draw Identity 99% 90% 80% 70%

Popular Name: BRD-K14109741-001-01-0 BRD-K14109741-001-01-0

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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	12.2	-79.42	0	6	-1	88	387.396	3	↓ MOL2 SDF SMILES Flexibase

13799771

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[1-[(2-fluorophenyl)methyl]-2-oxo-indolin-3-ylidene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[1-[(2-fluorophenyl)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)	5.25	13.1	-17.6	0	5	0	56	427.46	2	↓ MOL2 SDF SMILES Flexibase

14009228

Analogs

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Popular Name: (2Z)-2-[[1-(4-bromo-3-chloro-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]thiazolo[3,2-a]benzimidazol- (2Z)-2-[[1-(4-bromo-3-chloro-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)	5.96	14.22	-14.12	0	4	0	39	484.806	2	↓ MOL2 SDF SMILES Flexibase

14009231

Analogs

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Popular Name: (2Z)-2-[[1-(5-chloro-2-methyl-phenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]thiazolo[3,2-a]benzimidazol (2Z)-2-[[1-(5-chloro-2-methyl-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)	5.81	14.52	-13.84	0	4	0	39	419.937	2	↓ MOL2 SDF SMILES Flexibase

14009234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[1-(2-fluorophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[[1-(2-fluorophenyl)-2,5-…

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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)	4.66	13.27	-15.94	0	4	0	39	389.455	2	↓ MOL2 SDF SMILES Flexibase

14009430

Analogs

658389
13749051

Draw Identity 99% 90% 80% 70%

Popular Name: [2-chloro-4-[(E)-(1-oxothiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenyl] [2-chloro-4-[(E)-(1-oxothiazolo[…

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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)	3.86	11.18	-15.86	0	5	0	61	370.817	3	↓ MOL2 SDF SMILES Flexibase

14009446

Analogs

8442159

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(4-benzyloxy-2-bromo-5-methoxy-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(4-benzyloxy-2-bromo-5-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.69	12.89	-13.03	0	5	0	53	493.382	5	↓ MOL2 SDF SMILES Flexibase

14009449

Analogs

8426067

Draw Identity 99% 90% 80% 70%

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)	4.39	11.43	-17.48	0	7	0	79	444.896	7	↓ MOL2 SDF SMILES Flexibase

14009452

Analogs

40113276
40113487
40113703
40113918
40114139

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-methyl-4-pyrrolidin-1-yl-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(3-methyl-4-pyrrolidin-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)	4.59	10.75	-11.86	0	4	0	38	361.47	2	↓ MOL2 SDF SMILES Flexibase

14009455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[1-(4-bromophenyl)pyrrol-2-yl]methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[[1-(4-bromophenyl)pyrrol…

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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)	5.01	12.47	-13.6	0	4	0	39	422.307	2	↓ MOL2 SDF SMILES Flexibase

14011248

Analogs

5297446
8435318

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Popular Name: (2E)-2-[[5-(2,3-dichlorophenyl)-2-furyl]methylene]thiazolo[3,2-a]benzimidazol-1-one (2E)-2-[[5-(2,3-dichlorophenyl)-…

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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)	6.14	13.52	-17.07	0	4	0	48	413.285	2	↓ MOL2 SDF SMILES Flexibase

14011282

Analogs

382057

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-chloro-4-methoxy-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(3-chloro-4-methoxy-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)	4.37	8.96	-13.14	0	4	0	44	342.807	2	↓ MOL2 SDF SMILES Flexibase

14011298

Analogs

9110053

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[[1-(4-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[[1-(4-bromophenyl)-2,5-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)	5.14	13.71	-13.68	0	4	0	39	450.361	2	↓ MOL2 SDF SMILES Flexibase

14011301

Analogs

29099

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1,2,5-trimethyl-1H-pyrrol-3-yl)methylene][1,3]thiazolo[3,2-a]benzimidazol-3(2H)-one 2-[(1,2,5-trimethyl-1H-pyrrol-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)	3.06	9.72	-15.56	0	4	0	39	309.394	1	↓ MOL2 SDF SMILES Flexibase

14011304

Analogs

8854934

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Popular Name: (2Z)-2-[[1-[(3,4-dichlorophenyl)methyl]indol-3-yl]methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[[1-[(3,4-dichlorophenyl)…

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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)	6.80	15.72	-17.37	0	4	0	39	476.388	3	↓ MOL2 SDF SMILES Flexibase

14011308

Analogs

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Popular Name: 3-[[4-[(E)-(1-oxothiazolo[3,2-a]benzimidazol-2-ylidene)methyl]phenoxy]methyl]benzoic 3-[[4-[(E)-(1-oxothiazolo[3,2-a]…

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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)	5.25	12.34	-62.4	0	6	-1	84	427.461	5	↓ MOL2 SDF SMILES Flexibase

14011311

Analogs

368106

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(1,2-dimethylindol-3-yl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(1,2-dimethylindol-3-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)	4.15	11.51	-15.23	0	4	0	39	345.427	1	↓ MOL2 SDF SMILES Flexibase

14011388

Analogs

36230630

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(3-ethoxy-4-hydroxy-5-ni…

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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	8.58	-19.11	1	8	0	110	383.385	4	↓ MOL2 SDF SMILES Flexibase

4550035

Analogs

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Popular Name: 2-[5-[(oxoBLAHylidene)methyl]-2-furyl]benzoic 2-[5-[(oxoBLAHylidene)methyl]-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)	4.41	0.51	-67.36	0	6	-1	87	387.396	3	↓ MOL2 SDF SMILES Flexibase

4550609

Analogs

20534068

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Popular Name: (5-iodo-2-furyl)methyleneBLAHone (5-iodo-2-furyl)methyleneBLAHone

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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)	4.17	-0.54	-13.43	0	4	0	47	394.193	1	↓ MOL2 SDF SMILES Flexibase

5198896

Analogs

27520644
657103

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Popular Name: [5-[(dimethyl-oxo-BLAHylidene)methyl]-2-methoxy-phenyl] [5-[(dimethyl-oxo-BLAHylidene)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)	3.65	2.58	-19.45	0	6	0	69	394.452	4	↓ MOL2 SDF SMILES Flexibase

5198899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: dimethyl-[(2,4,5-trimethoxyphenyl)methylene]BLAHone dimethyl-[(2,4,5-trimethoxypheny…

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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)	4.14	1.25	-14.87	0	6	0	62	396.468	4	↓ MOL2 SDF SMILES Flexibase

15938887

Analogs

19910461

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Popular Name: (2Z)-2-[(2Z)-2-(1-ethyl-3-phenyl-benzimidazol-2-ylidene)ethylidene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(2Z)-2-(1-ethyl-3-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)	5.37	16.27	-20.09	0	5	0	44	436.54	3	↓ MOL2 SDF SMILES Flexibase

15938949

Analogs

2915772

Draw Identity 99% 90% 80% 70%

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)	4.68	11.3	-17.23	0	5	0	61	364.426	3	↓ MOL2 SDF SMILES Flexibase

15938971

Analogs

4494401

Draw Identity 99% 90% 80% 70%

Popular Name: (2Z)-2-[(2E)-2-(1-ethyl-2-quinolylidene)ethylidene]thiazolo[3,2-a]benzimidazol-1-one (2Z)-2-[(2E)-2-(1-ethyl-2-quinol…

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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)	4.56	12.72	-21.12	0	4	0	39	371.465	2	↓ MOL2 SDF SMILES Flexibase

38139239

Analogs

13115746

Draw Identity 99% 90% 80% 70%

Popular Name: (2E)-2-[(2,5-dimethoxy-4-pyrrolidin-1-yl-phenyl)methylene]thiazolo[3,2-a]benzimidazol-1-one (2E)-2-[(2,5-dimethoxy-4-pyrroli…

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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)	4.18	10.27	-13	0	6	0	56	407.495	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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Structural Results Found: (before additional filtering)

SQL Query Was

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Embed Link to Results

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