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ZINC Item

Suppliers, Protomers, & Similar Substances

5780810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[3,5-bis(trifluoromethyl)phenoxy]methyl]-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-trien-5-one 3-[[3,5-bis(trifluoromethyl)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)	4.40	4.46	-12.27	0	4	0	43	394.296	5	↓ MOL2 SDF SMILES Flexibase

18963643

Analogs

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Popular Name: 3-chloro-4-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzonitrile 3-chloro-4-[(3-methyl-5-oxo-thia…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.26	8.37	-15.73	0	5	0	67	331.784	3	↓ MOL2 SDF SMILES Flexibase

13412646

Analogs

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Popular Name: 4-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoic 4-[(5-oxothiazolo[3,2-a]pyrimidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	6.46	-58.05	0	6	-1	84	301.303	4	↓ MOL2 SDF SMILES Flexibase

13418679

Analogs

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Popular Name: 4-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoic 4-[(3-methyl-5-oxo-thiazolo[3,2-…

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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)	2.81	7.06	-57.57	0	6	-1	84	315.33	4	↓ MOL2 SDF SMILES Flexibase

13419846

Analogs

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Popular Name: 3-methoxy-4-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoic 3-methoxy-4-[(5-oxothiazolo[3,2-…

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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)	2.18	6.36	-58.51	0	7	-1	93	331.329	5	↓ MOL2 SDF SMILES Flexibase

13420074

Analogs

11392803

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-4-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoic 3-methoxy-4-[(3-methyl-5-oxo-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)	2.40	6.96	-58.14	0	7	-1	93	345.356	5	↓ MOL2 SDF SMILES Flexibase

13422109

Analogs

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Popular Name: 4-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzene-1,3-dicarboxylic 4-[(5-oxothiazolo[3,2-a]pyrimidi…

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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	6.84	-127.19	0	8	-2	124	344.304	5	↓ MOL2 SDF SMILES Flexibase

13422342

Analogs

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Popular Name: 4-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzene-1,3-dicarboxylic 4-[(3-methyl-5-oxo-thiazolo[3,2-…

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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)	2.73	7.45	-126.73	0	8	-2	124	358.331	5	↓ MOL2 SDF SMILES Flexibase

13423234

Analogs

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Popular Name: 3,5-dichloro-4-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoic 3,5-dichloro-4-[(5-oxothiazolo[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)	3.80	7.68	-49.61	0	6	-1	84	370.193	4	↓ MOL2 SDF SMILES Flexibase

13423437

Analogs

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Popular Name: 3,5-dichloro-4-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoic 3,5-dichloro-4-[(3-methyl-5-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)	4.02	8.3	-49.21	0	6	-1	84	384.22	4	↓ MOL2 SDF SMILES Flexibase

3402888

Analogs

5185461

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Popular Name: 7-[(3,4-dichlorophenoxy)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(3,4-dichlorophenoxy)methyl]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)	3.96	7.8	-11.98	0	4	0	44	327.192	3	↓ MOL2 SDF SMILES Flexibase

3404222

Analogs

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Popular Name: 7-[(4-bromo-2-fluoro-phenoxy)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(4-bromo-2-fluoro-phenoxy)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)	3.58	0.1	-14.16	0	4	0	43	355.188	3	↓ MOL2 SDF SMILES Flexibase

64976678

Analogs

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Popular Name: N-[5-chloro-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide N-[5-chloro-2-[(5-oxothiazolo[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)	3.90	7.94	-17.12	1	6	0	73	377.853	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.90	8.47	-50.02	2	6	1	74	378.861	6	↓ MOL2 SDF SMILES Flexibase

64976698

Analogs

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Popular Name: N-[5-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide N-[5-methyl-2-[(5-oxothiazolo[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)	2.27	6.52	-17.21	1	6	0	73	329.381	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.27	7.05	-47.45	2	6	1	74	330.389	4	↓ MOL2 SDF SMILES Flexibase

64976706

Analogs

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Popular Name: N-[5-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide N-[5-methyl-2-[(5-oxothiazolo[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)	3.67	8.1	-16.74	1	6	0	73	357.435	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.67	8.62	-47.03	2	6	1	74	358.443	6	↓ MOL2 SDF SMILES Flexibase

64976707

Analogs

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Popular Name: 2-methyl-N-[5-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide 2-methyl-N-[5-methyl-2-[(5-oxoth…

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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	7.98	-16.43	1	6	0	73	357.435	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.36	8.5	-46.97	2	6	1	74	358.443	5	↓ MOL2 SDF SMILES Flexibase

64976708

Analogs

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Popular Name: 3-methyl-N-[5-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide 3-methyl-N-[5-methyl-2-[(5-oxoth…

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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)	3.89	8.68	-16.02	1	6	0	73	371.462	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.89	9.22	-46.28	2	6	1	74	372.47	6	↓ MOL2 SDF SMILES Flexibase

64976709

Analogs

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Popular Name: 2,2-dimethyl-N-[5-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide 2,2-dimethyl-N-[5-methyl-2-[(5-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)	3.94	8.53	-16.38	1	6	0	73	371.462	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.94	9.07	-46.83	2	6	1	74	372.47	5	↓ MOL2 SDF SMILES Flexibase

64976712

Analogs

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Popular Name: 2-ethyl-N-[5-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide 2-ethyl-N-[5-methyl-2-[(5-oxothi…

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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)	4.36	9.33	-15.98	1	6	0	73	385.489	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.36	9.86	-46.02	2	6	1	74	386.497	7	↓ MOL2 SDF SMILES Flexibase

64976749

Analogs

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Popular Name: N-[4-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide N-[4-methyl-2-[(5-oxothiazolo[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)	3.11	7.32	-16.69	1	6	0	73	343.408	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.11	7.85	-47.12	2	6	1	74	344.416	5	↓ MOL2 SDF SMILES Flexibase

64976750

Analogs

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Popular Name: N-[4-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide N-[4-methyl-2-[(5-oxothiazolo[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)	3.67	8.09	-16.51	1	6	0	73	357.435	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.67	8.61	-46.93	2	6	1	74	358.443	6	↓ MOL2 SDF SMILES Flexibase

64976751

Analogs

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Popular Name: N-[4-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]pentanamide N-[4-methyl-2-[(5-oxothiazolo[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)	4.18	8.87	-16.45	1	6	0	73	371.462	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.18	9.4	-46.99	2	6	1	74	372.47	7	↓ MOL2 SDF SMILES Flexibase

64976752

Analogs

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Popular Name: 3-methyl-N-[4-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide 3-methyl-N-[4-methyl-2-[(5-oxoth…

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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)	3.89	8.68	-15.79	1	6	0	73	371.462	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.89	9.22	-46.11	2	6	1	74	372.47	6	↓ MOL2 SDF SMILES Flexibase

64976753

Analogs

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Popular Name: 2,2-dimethyl-N-[4-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide 2,2-dimethyl-N-[4-methyl-2-[(5-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)	3.94	8.53	-16.12	1	6	0	73	371.462	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.94	9.07	-46.69	2	6	1	74	372.47	5	↓ MOL2 SDF SMILES Flexibase

64976756

Analogs

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Popular Name: 2-ethyl-N-[4-methyl-2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide 2-ethyl-N-[4-methyl-2-[(5-oxothi…

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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)	4.36	9.05	-16.01	1	6	0	73	385.489	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.36	9.85	-45.84	2	6	1	74	386.497	7	↓ MOL2 SDF SMILES Flexibase

64976781

Analogs

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Popular Name: N-[5-methyl-2-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide N-[5-methyl-2-[(3-methyl-5-oxo-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	7.11	-16.28	1	6	0	73	343.408	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.50	7.65	-46.18	2	6	1	74	344.416	4	↓ MOL2 SDF SMILES Flexibase

64976788

Analogs

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Popular Name: N-[5-methyl-2-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide N-[5-methyl-2-[(3-methyl-5-oxo-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)	3.33	7.92	-16.04	1	6	0	73	357.435	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.33	8.45	-45.97	2	6	1	74	358.443	5	↓ MOL2 SDF SMILES Flexibase

64976789

Analogs

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Popular Name: N-[5-methyl-2-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide N-[5-methyl-2-[(3-methyl-5-oxo-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)	3.89	8.69	-15.73	1	6	0	73	371.462	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.89	9.22	-45.74	2	6	1	74	372.47	6	↓ MOL2 SDF SMILES Flexibase

64976790

Analogs

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Popular Name: 2-methyl-N-[5-methyl-2-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide 2-methyl-N-[5-methyl-2-[(3-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)	3.58	8.57	-15.47	1	6	0	73	371.462	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.58	9.11	-45.53	2	6	1	74	372.47	5	↓ MOL2 SDF SMILES Flexibase

64976791

Analogs

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Popular Name: 3-methyl-N-[5-methyl-2-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide 3-methyl-N-[5-methyl-2-[(3-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)	4.11	9.28	-15.13	1	6	0	73	385.489	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.11	9.82	-44.99	2	6	1	74	386.497	6	↓ MOL2 SDF SMILES Flexibase

64976792

Analogs

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Popular Name: 2,2-dimethyl-N-[5-methyl-2-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide 2,2-dimethyl-N-[5-methyl-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)	4.16	9.12	-15.39	1	6	0	73	385.489	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.16	9.66	-45.49	2	6	1	74	386.497	5	↓ MOL2 SDF SMILES Flexibase

64976794

Analogs

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Popular Name: 2-ethyl-N-[5-methyl-2-[(3-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide 2-ethyl-N-[5-methyl-2-[(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)	4.58	9.93	-15.01	1	6	0	73	399.516	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.58	10.19	-45.12	2	6	1	74	400.524	7	↓ MOL2 SDF SMILES Flexibase

64976829

Analogs

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Popular Name: N-[5-methyl-2-[(2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]acetamide N-[5-methyl-2-[(2-methyl-5-oxo-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	7.34	-16.27	1	6	0	73	343.408	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.50	7.88	-45.23	2	6	1	74	344.416	4	↓ MOL2 SDF SMILES Flexibase

64976838

Analogs

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Popular Name: N-[5-methyl-2-[(2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide N-[5-methyl-2-[(2-methyl-5-oxo-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)	3.33	8.15	-16.04	1	6	0	73	357.435	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.33	8.68	-45	2	6	1	74	358.443	5	↓ MOL2 SDF SMILES Flexibase

64976839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-methyl-2-[(2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide N-[5-methyl-2-[(2-methyl-5-oxo-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)	3.89	8.92	-15.73	1	6	0	73	371.462	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.89	9.45	-44.74	2	6	1	74	372.47	6	↓ MOL2 SDF SMILES Flexibase

64976840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[5-methyl-2-[(2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide 2-methyl-N-[5-methyl-2-[(2-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)	3.58	8.8	-15.5	1	6	0	73	371.462	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.58	9.34	-44.56	2	6	1	74	372.47	5	↓ MOL2 SDF SMILES Flexibase

64976841

Analogs

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Popular Name: 3-methyl-N-[5-methyl-2-[(2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide 3-methyl-N-[5-methyl-2-[(2-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)	4.11	9.51	-15.11	1	6	0	73	385.489	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.11	10.05	-43.9	2	6	1	74	386.497	6	↓ MOL2 SDF SMILES Flexibase

64976842

Analogs

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Popular Name: 2,2-dimethyl-N-[5-methyl-2-[(2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide 2,2-dimethyl-N-[5-methyl-2-[(2-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)	4.16	9.35	-15.4	1	6	0	73	385.489	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.16	9.89	-44.47	2	6	1	74	386.497	5	↓ MOL2 SDF SMILES Flexibase

64976874

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[4-methyl-2-[(2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]butanamide 3-methyl-N-[4-methyl-2-[(2-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)	4.11	9.5	-14.92	1	6	0	73	385.489	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.11	10.05	-43.87	2	6	1	74	386.497	6	↓ MOL2 SDF SMILES Flexibase

64976875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dimethyl-N-[4-methyl-2-[(2-methyl-5-oxo-thiazolo[3,2-a]pyrimidin-7-yl)methoxy]phenyl]propanamide 2,2-dimethyl-N-[4-methyl-2-[(2-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)	4.16	9.35	-15.15	1	6	0	73	385.489	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.16	9.89	-44.35	2	6	1	74	386.497	5	↓ MOL2 SDF SMILES Flexibase

37207124

Analogs

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Popular Name: 3-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoic 3-[(5-oxothiazolo[3,2-a]pyrimidi…

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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)	2.57	7.39	-60.75	0	6	-1	84	301.303	4	↓ MOL2 SDF SMILES Flexibase

37207144

Analogs

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Popular Name: 2-[(5-oxothiazolo[3,2-a]pyrimidin-7-yl)methoxy]benzoic 2-[(5-oxothiazolo[3,2-a]pyrimidi…

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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	8.14	-66.23	0	6	-1	84	301.303	4	↓ MOL2 SDF SMILES Flexibase

49373440

Analogs

5743984
3515591

Draw Identity 99% 90% 80% 70%

Popular Name: 7-[(2,6-dibromophenoxy)methyl]thiazolo[3,2-a]pyrimidin-5-one 7-[(2,6-dibromophenoxy)methyl]th…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.20	8.29	-12.49	0	4	0	44	416.094	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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

Structural Results Found: (before additional filtering)

SQL Query Was

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
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