ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

77980343

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1-methylpyrrole-2-carbonyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(1-methylpyrrole-2-carbonyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.89	3.97	-11.38	1	5	0	58	263.322	1	↓ MOL2 SDF SMILES Flexibase

77980339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(naphthalene-2-carbonyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(naphthalene-2-carbonyl)-1,4,6…

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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)	2.38	6.69	-12.64	1	4	0	53	310.378	1	↓ MOL2 SDF SMILES Flexibase

77980335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[1-(4-methoxyphenyl)cyclopentanecarbonyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[1-(4-methoxyphenyl)cyclopenta…

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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	6.87	-12.41	1	5	0	62	358.463	3	↓ MOL2 SDF SMILES Flexibase

77980333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(benzofuran-2-carbonyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(benzofuran-2-carbonyl)-1,4,6,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.23	5.23	-11.17	1	5	0	66	300.339	1	↓ MOL2 SDF SMILES Flexibase

77980330

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-phenoxybenzoyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(3-phenoxybenzoyl)-1,4,6,7-tet…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.93	7.3	-15.7	1	5	0	62	352.415	3	↓ MOL2 SDF SMILES Flexibase

77980326

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(1-phenylcyclopentanecarbonyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(1-phenylcyclopentanecarbonyl)…

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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)	3.04	7.47	-9.85	1	4	0	53	328.437	2	↓ MOL2 SDF SMILES Flexibase

77980324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(naphthalene-1-carbonyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(naphthalene-1-carbonyl)-1,4,6…

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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)	2.36	6.66	-13.78	1	4	0	53	310.378	1	↓ MOL2 SDF SMILES Flexibase

77980320

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2-phenoxybenzoyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(2-phenoxybenzoyl)-1,4,6,7-tet…

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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)	3.45	8.12	-16.25	1	5	0	62	352.415	3	↓ MOL2 SDF SMILES Flexibase

77980318

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,2-diphenylacetyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(2,2-diphenylacetyl)-1,4,6,7-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)	3.15	8.44	-11.49	1	4	0	53	350.443	3	↓ MOL2 SDF SMILES Flexibase

77980315

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(3-thienyl)acetyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[2-(3-thienyl)acetyl]-1,4,6,7-…

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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)	1.35	4.42	-13.15	1	4	0	53	280.374	2	↓ MOL2 SDF SMILES Flexibase

77980312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(thiophene-3-carbonyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(thiophene-3-carbonyl)-1,4,6,7…

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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)	0.79	3.42	-12.57	1	4	0	53	266.347	1	↓ MOL2 SDF SMILES Flexibase

77980309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[6-(2-thienyl)pyridine-3-carbonyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[6-(2-thienyl)pyridine-3-carbo…

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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)	1.64	5.28	-12.96	1	5	0	66	343.433	2	↓ MOL2 SDF SMILES Flexibase

77980305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(6-phenylpyridine-3-carbonyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(6-phenylpyridine-3-carbonyl)-…

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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	6.21	-13.17	1	5	0	66	337.404	2	↓ MOL2 SDF SMILES Flexibase

77980303

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-(3-pyridyl)thiophene-2-carbonyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[3-(3-pyridyl)thiophene-2-carb…

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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)	2.22	5.11	-14.6	1	5	0	66	343.433	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.22	5.57	-37.17	2	5	1	67	344.441	2	↓ MOL2 SDF SMILES Flexibase

77980299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-(3-thienyl)furan-2-carbonyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[5-(3-thienyl)furan-2-carbonyl…

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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)	2.44	5.52	-11.36	1	5	0	66	332.406	2	↓ MOL2 SDF SMILES Flexibase

77980292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-phenylfuran-2-carbonyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(5-phenylfuran-2-carbonyl)-1,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	6.58	-11.1	1	5	0	66	326.377	2	↓ MOL2 SDF SMILES Flexibase

77980289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[3-(3-thienyl)benzoyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[3-(3-thienyl)benzoyl]-1,4,6,7…

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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)	2.56	6.83	-13.63	1	4	0	53	342.445	2	↓ MOL2 SDF SMILES Flexibase

77980286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-phenylbenzoyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(3-phenylbenzoyl)-1,4,6,7-tetr…

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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)	2.97	7.86	-13.85	1	4	0	53	336.416	2	↓ MOL2 SDF SMILES Flexibase

77980284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(2-thienyl)benzoyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[4-(2-thienyl)benzoyl]-1,4,6,7…

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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)	2.78	7.08	-13.16	1	4	0	53	342.445	2	↓ MOL2 SDF SMILES Flexibase

77980282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-isopropoxypyridine-2-carbonyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(3-isopropoxypyridine-2-carbon…

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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)	1.64	5.76	-14.09	1	6	0	75	319.386	3	↓ MOL2 SDF SMILES Flexibase

77980277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[5-(cyclopentoxy)pyridine-3-carbonyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[5-(cyclopentoxy)pyridine-3-ca…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.56	4.86	-12.45	1	6	0	75	345.424	3	↓ MOL2 SDF SMILES Flexibase

77980275

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-isopropoxypyridine-3-carbonyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(5-isopropoxypyridine-3-carbon…

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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)	0.90	3.42	-11.8	1	6	0	75	319.386	3	↓ MOL2 SDF SMILES Flexibase

77980270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[6-(cyclopropylmethoxy)pyridine-3-carbonyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[6-(cyclopropylmethoxy)pyridin…

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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)	1.23	3.59	-11.93	1	6	0	75	331.397	4	↓ MOL2 SDF SMILES Flexibase

77980265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[2-(cyclopropylmethoxy)phenyl]acetyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[2-[2-(cyclopropylmethoxy)phen…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.64	7.37	-13.13	1	5	0	62	344.436	5	↓ MOL2 SDF SMILES Flexibase

77980263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-benzyloxybenzoyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(3-benzyloxybenzoyl)-1,4,6,7-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)	2.83	7.72	-15.42	1	5	0	62	366.442	4	↓ MOL2 SDF SMILES Flexibase

77980260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(3-isopropoxybenzoyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(3-isopropoxybenzoyl)-1,4,6,7-…

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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)	1.97	5.29	-14.45	1	5	0	62	318.398	3	↓ MOL2 SDF SMILES Flexibase

77980255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(2-thienylmethoxy)benzoyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[4-(2-thienylmethoxy)benzoyl]-…

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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)	2.75	6.83	-14.35	1	5	0	62	372.471	4	↓ MOL2 SDF SMILES Flexibase

77980252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-benzyloxybenzoyl)-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-(4-benzyloxybenzoyl)-1,4,6,7-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)	2.85	7.74	-13.88	1	5	0	62	366.442	4	↓ MOL2 SDF SMILES Flexibase

77980248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[4-(cyclopropylmethoxy)benzoyl]-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-2-one 5-[4-(cyclopropylmethoxy)benzoyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	6.27	-12.1	1	5	0	62	330.409	4	↓ MOL2 SDF SMILES Flexibase

77980240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-oxo-2-(2-oxo-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridin-5-yl)ethyl]phenyl]cyclohexanecarboxami N-[4-[2-oxo-2-(2-oxo-1,4,6,7-tet…

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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)	3.23	7.75	-18.05	2	6	0	82	399.516	4	↓ MOL2 SDF SMILES Flexibase

77980235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(2-oxo-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridine-5-carbonyl)phenyl]cyclohexanecarboxamide N-[3-(2-oxo-1,4,6,7-tetrahydroth…

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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)	2.64	6.67	-16.31	2	6	0	82	385.489	3	↓ MOL2 SDF SMILES Flexibase

77980230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2-oxo-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridine-5-carbonyl)phenyl]cyclohexanecarboxamide N-[4-(2-oxo-1,4,6,7-tetrahydroth…

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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)	2.67	6.66	-18.39	2	6	0	82	385.489	3	↓ MOL2 SDF SMILES Flexibase

77980225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-methyl-1-(2-oxo-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridine-5-carbonyl)propyl]benzamide N-[(1S)-2-methyl-1-(2-oxo-1,4,6,…

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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)	1.89	5.26	-12.98	2	6	0	82	359.451	4	↓ MOL2 SDF SMILES Flexibase

77980220

Analogs

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Popular Name: N-[(1S)-2-methyl-1-(2-oxo-1,4,6,7-tetrahydrothiazolo[5,4-c]pyridine-5-carbonyl)propyl]cyclohexanecar N-[(1S)-2-methyl-1-(2-oxo-1,4,6,…

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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)	2.46	5.44	-11.81	2	6	0	82	365.499	4	↓ MOL2 SDF SMILES Flexibase

77980217

Analogs

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Popular Name: [1-(4-chlorophenyl)cyclobutyl]-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone [1-(4-chlorophenyl)cyclobutyl]-[…

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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)	3.15	10.03	-13.22	0	5	0	59	393.874	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.15	10.49	-43.38	1	5	1	60	394.882	3	↓ MOL2 SDF SMILES Flexibase

77980213

Analogs

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Popular Name: [1-(4-methoxyphenyl)cyclopentyl]-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanon [1-(4-methoxyphenyl)cyclopentyl]…

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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)	3.27	9.8	-13.2	0	6	0	68	403.482	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.27	10.26	-42.47	1	6	1	70	404.49	4	↓ MOL2 SDF SMILES Flexibase

77980208

Analogs

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Popular Name: (1-phenylcyclopentyl)-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone (1-phenylcyclopentyl)-[3-(4-pyri…

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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)	3.22	10.51	-11.73	0	5	0	59	373.456	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.22	10.97	-41.33	1	5	1	60	374.464	3	↓ MOL2 SDF SMILES Flexibase

77980206

Analogs

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Popular Name: 2,2-diphenyl-1-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]ethanone 2,2-diphenyl-1-[3-(4-pyridyl)-6,…

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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	11.31	-13.8	0	5	0	59	395.462	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.33	11.62	-43.16	1	5	1	60	396.47	4	↓ MOL2 SDF SMILES Flexibase

77980203

Analogs

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Popular Name: 2-(4-fluorophenyl)-1-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]ethanone 2-(4-fluorophenyl)-1-[3-(4-pyrid…

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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)	2.11	8.44	-17.24	0	5	0	59	337.354	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.11	8.9	-46.69	1	5	1	60	338.362	3	↓ MOL2 SDF SMILES Flexibase

77980199

Analogs

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Popular Name: 2-phenyl-1-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]ethanone 2-phenyl-1-[3-(4-pyridyl)-6,7-di…

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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)	1.94	8.37	-15.55	0	5	0	59	319.364	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.94	8.83	-44.61	1	5	1	60	320.372	3	↓ MOL2 SDF SMILES Flexibase

77980195

Analogs

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Popular Name: (3-methyl-2-thienyl)-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone (3-methyl-2-thienyl)-[3-(4-pyrid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	7.06	-11.57	0	5	0	59	325.393	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.13	7.51	-49.84	1	5	1	60	326.401	2	↓ MOL2 SDF SMILES Flexibase

77980191

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Popular Name: 2-pyridyl-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone 2-pyridyl-[3-(4-pyridyl)-6,7-dih…

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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)	0.68	6.57	-13.16	0	6	0	72	306.325	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.68	7.03	-52.25	1	6	1	73	307.333	2	↓ MOL2 SDF SMILES Flexibase

77980187

Analogs

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Popular Name: 1-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-2-(3-thienyl)ethanone 1-[3-(4-pyridyl)-6,7-dihydro-4H-…

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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)	1.53	7.31	-15.67	0	5	0	59	325.393	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.53	7.77	-44.76	1	5	1	60	326.401	3	↓ MOL2 SDF SMILES Flexibase

77980183

Analogs

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Popular Name: [3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-[3-(3-pyridyl)-2-thienyl]methanone [3-(4-pyridyl)-6,7-dihydro-4H-is…

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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	8.17	-15.64	0	6	0	72	388.452	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.40	8.63	-54.95	1	6	1	73	389.46	3	↓ MOL2 SDF SMILES Flexibase

77980179

Analogs

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Popular Name: (3-phenyl-2-thienyl)-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]methanone (3-phenyl-2-thienyl)-[3-(4-pyrid…

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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)	3.47	9.97	-13.53	0	5	0	59	387.464	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.47	10.43	-52.19	1	5	1	60	388.472	3	↓ MOL2 SDF SMILES Flexibase

77980174

Analogs

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Popular Name: [3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-[5-(3-pyridyl)-2-furyl]methanone [3-(4-pyridyl)-6,7-dihydro-4H-is…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.96	7.56	-13.57	0	7	0	85	372.384	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.96	8.02	-44.96	1	7	1	87	373.392	3	↓ MOL2 SDF SMILES Flexibase

77980171

Analogs

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Popular Name: 1-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]-2-[2-(3-thienyl)phenyl]ethanone 1-[3-(4-pyridyl)-6,7-dihydro-4H-…

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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)	3.28	10.51	-14.3	0	5	0	59	401.491	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.28	10.96	-43.82	1	5	1	60	402.499	4	↓ MOL2 SDF SMILES Flexibase

77980167

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Popular Name: 2-[2-(cyclopropylmethoxy)phenyl]-1-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]ethano 2-[2-(cyclopropylmethoxy)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)	2.82	10.24	-15.53	0	6	0	68	389.455	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.82	10.7	-44.23	1	6	1	70	390.463	6	↓ MOL2 SDF SMILES Flexibase

77980164

Analogs

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Popular Name: 2-(4-isopropoxyphenyl)-1-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]ethanone 2-(4-isopropoxyphenyl)-1-[3-(4-p…

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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)	2.74	9.22	-17.08	0	6	0	68	377.444	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.74	9.68	-46.23	1	6	1	70	378.452	5	↓ MOL2 SDF SMILES Flexibase

77980160

Analogs

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Popular Name: 2-methyl-N-[4-[2-oxo-2-[3-(4-pyridyl)-6,7-dihydro-4H-isoxazolo[4,5-c]pyridin-5-yl]ethyl]phenyl]propa 2-methyl-N-[4-[2-oxo-2-[3-(4-pyr…

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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)	2.24	8.74	-22.41	1	7	0	88	404.47	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.24	9.2	-50.2	2	7	1	90	405.478	5	↓ MOL2 SDF SMILES Flexibase

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page.num = 1
catalog.name = wisdom
filter.purchasability = purchasable

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