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ZINC Item

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49543834

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)	3.68	11.65	-15.66	0	6	0	69	430.432	5	↓ MOL2 SDF SMILES Flexibase

49543835

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)	3.68	11.69	-15.43	0	6	0	69	430.432	5	↓ MOL2 SDF SMILES Flexibase

49543838

Analogs

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Popular Name: (7S)-7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dion (7S)-7-(3,4-dimethoxyphenyl)-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)	3.37	9.71	-14.28	0	6	0	61	414.458	4	↓ MOL2 SDF SMILES Flexibase

49543840

Analogs

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Popular Name: (7R)-7-(3,4-dimethoxyphenyl)-4-(4-fluorophenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dion (7R)-7-(3,4-dimethoxyphenyl)-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)	3.37	9.76	-13.22	0	6	0	61	414.458	4	↓ MOL2 SDF SMILES Flexibase

49543848

Analogs

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Popular Name: (7S)-4-(3-chloro-4-fluoro-phenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2, (7S)-4-(3-chloro-4-fluoro-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)	4.39	10.31	-12.55	0	5	0	52	418.877	3	↓ MOL2 SDF SMILES Flexibase

49543850

Analogs

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Popular Name: (7R)-4-(3-chloro-4-fluoro-phenyl)-7-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2, (7R)-4-(3-chloro-4-fluoro-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)	4.39	10.35	-11.26	0	5	0	52	418.877	3	↓ MOL2 SDF SMILES Flexibase

49543894

Analogs

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Popular Name: (7S)-7-(2-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7S)-7-(2-chlorophenyl)-4-(4-chl…

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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)	4.87	11.39	-8.24	0	4	0	42	405.306	2	↓ MOL2 SDF SMILES Flexibase

49543896

Analogs

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Popular Name: (7R)-7-(2-chlorophenyl)-4-(4-chlorophenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7R)-7-(2-chlorophenyl)-4-(4-chl…

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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)	4.87	11.44	-8.62	0	4	0	42	405.306	2	↓ MOL2 SDF SMILES Flexibase

49543914

Analogs

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Popular Name: (7S)-4-(4-chlorophenyl)-3-methyl-7-(2,3,4-trifluorophenyl)-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-di (7S)-4-(4-chlorophenyl)-3-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	11.11	-10.19	0	4	0	42	424.831	2	↓ MOL2 SDF SMILES Flexibase

49543915

Analogs

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Popular Name: (7R)-4-(4-chlorophenyl)-3-methyl-7-(2,3,4-trifluorophenyl)-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-di (7R)-4-(4-chlorophenyl)-3-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.59	11.15	-12.4	0	4	0	42	424.831	2	↓ MOL2 SDF SMILES Flexibase

49543986

Analogs

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Popular Name: (7S)-4-(3,4-difluorophenyl)-3-methyl-7-phenyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7S)-4-(3,4-difluorophenyl)-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)	3.82	10.57	-10.96	0	4	0	42	372.396	2	↓ MOL2 SDF SMILES Flexibase

49543988

Analogs

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Popular Name: (7R)-4-(3,4-difluorophenyl)-3-methyl-7-phenyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7R)-4-(3,4-difluorophenyl)-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)	3.82	10.61	-9.96	0	4	0	42	372.396	2	↓ MOL2 SDF SMILES Flexibase

49544015

Analogs

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Popular Name: (7S)-7-(2,5-dimethoxyphenyl)-3-methyl-4-phenyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7S)-7-(2,5-dimethoxyphenyl)-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)	3.60	9.12	-12.74	0	6	0	61	396.468	4	↓ MOL2 SDF SMILES Flexibase

49544018

Analogs

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Popular Name: (7R)-7-(2,5-dimethoxyphenyl)-3-methyl-4-phenyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7R)-7-(2,5-dimethoxyphenyl)-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)	3.60	9.16	-11.16	0	6	0	61	396.468	4	↓ MOL2 SDF SMILES Flexibase

49544031

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)	4.17	11.92	-13.92	0	6	0	69	446.887	5	↓ MOL2 SDF SMILES Flexibase

49544034

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)	4.17	11.98	-13.95	0	6	0	69	446.887	5	↓ MOL2 SDF SMILES Flexibase

49544091

Analogs

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Popular Name: (7S)-7-(2-chloro-6-fluoro-phenyl)-4-(4-fluorophenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5 (7S)-7-(2-chloro-6-fluoro-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)	4.47	10.93	-9.75	0	4	0	42	406.841	2	↓ MOL2 SDF SMILES Flexibase

49544093

Analogs

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Popular Name: (7R)-7-(2-chloro-6-fluoro-phenyl)-4-(4-fluorophenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5 (7R)-7-(2-chloro-6-fluoro-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)	4.47	10.97	-8.97	0	4	0	42	406.841	2	↓ MOL2 SDF SMILES Flexibase

49544154

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)	3.42	11.53	-14.19	0	6	0	69	394.452	5	↓ MOL2 SDF SMILES Flexibase

49544157

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)	3.42	11.57	-13.26	0	6	0	69	394.452	5	↓ MOL2 SDF SMILES Flexibase

49544188

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)	3.77	11.66	-13.79	0	6	0	69	448.422	5	↓ MOL2 SDF SMILES Flexibase

49544190

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)	3.77	11.7	-14.62	0	6	0	69	448.422	5	↓ MOL2 SDF SMILES Flexibase

49544252

Analogs

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Popular Name: (7S)-7-(4-isobutoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7S)-7-(4-isobutoxyphenyl)-4-(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)	4.80	11.44	-13.26	0	6	0	61	438.549	6	↓ MOL2 SDF SMILES Flexibase

49544254

Analogs

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Popular Name: (7R)-7-(4-isobutoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7R)-7-(4-isobutoxyphenyl)-4-(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)	4.80	11.46	-11.13	0	6	0	61	438.549	6	↓ MOL2 SDF SMILES Flexibase

49544269

Analogs

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Popular Name: (7S)-7-[3-(difluoromethoxy)phenyl]-3-methyl-4-phenyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7S)-7-[3-(difluoromethoxy)pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	10.02	-13.74	0	5	0	52	402.422	4	↓ MOL2 SDF SMILES Flexibase

49544270

Analogs

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Popular Name: (7R)-7-[3-(difluoromethoxy)phenyl]-3-methyl-4-phenyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7R)-7-[3-(difluoromethoxy)pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.15	10.07	-12.45	0	5	0	52	402.422	4	↓ MOL2 SDF SMILES Flexibase

49544317

Analogs

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Popular Name: (7S)-7-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dio (7S)-7-(3,4-dimethoxyphenyl)-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)	3.27	8.94	-15.18	0	7	0	70	426.494	5	↓ MOL2 SDF SMILES Flexibase

49544319

Analogs

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Popular Name: (7R)-7-(3,4-dimethoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dio (7R)-7-(3,4-dimethoxyphenyl)-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)	3.27	8.98	-14.04	0	7	0	70	426.494	5	↓ MOL2 SDF SMILES Flexibase

49544441

Analogs

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Popular Name: (7S)-7-(3-chloro-4-fluoro-phenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2, (7S)-7-(3-chloro-4-fluoro-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)	4.39	10.3	-12.71	0	5	0	52	418.877	3	↓ MOL2 SDF SMILES Flexibase

49544442

Analogs

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Popular Name: (7R)-7-(3-chloro-4-fluoro-phenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2, (7R)-7-(3-chloro-4-fluoro-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)	4.39	10.34	-12.35	0	5	0	52	418.877	3	↓ MOL2 SDF SMILES Flexibase

49544518

Analogs

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Popular Name: (7S)-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dion (7S)-4-(4-chlorophenyl)-7-(3,4-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)	3.89	10.17	-13.93	0	6	0	61	430.913	4	↓ MOL2 SDF SMILES Flexibase

49544520

Analogs

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Popular Name: (7R)-4-(4-chlorophenyl)-7-(3,4-dimethoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dion (7R)-4-(4-chlorophenyl)-7-(3,4-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)	3.89	10.21	-12.9	0	6	0	61	430.913	4	↓ MOL2 SDF SMILES Flexibase

49544627

Analogs

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Popular Name: (7S)-7-(3-bromophenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7S)-7-(3-bromophenyl)-4-(4-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)	4.41	10.36	-10.95	0	5	0	52	445.338	3	↓ MOL2 SDF SMILES Flexibase

49544629

Analogs

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Popular Name: (7R)-7-(3-bromophenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7R)-7-(3-bromophenyl)-4-(4-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)	4.41	10.4	-10.48	0	5	0	52	445.338	3	↓ MOL2 SDF SMILES Flexibase

49544812

Analogs

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Popular Name: (7S)-3-methyl-4-phenyl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7S)-3-methyl-4-phenyl-7-(2,3,4-…

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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)	3.39	9.73	-12.84	0	7	0	70	426.494	5	↓ MOL2 SDF SMILES Flexibase

49544814

Analogs

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Popular Name: (7R)-3-methyl-4-phenyl-7-(2,3,4-trimethoxyphenyl)-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7R)-3-methyl-4-phenyl-7-(2,3,4-…

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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)	3.39	9.78	-12.91	0	7	0	70	426.494	5	↓ MOL2 SDF SMILES Flexibase

49544824

Analogs

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Popular Name: (7S)-3-methyl-7-(4-methylsulfanylphenyl)-4-phenyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7S)-3-methyl-7-(4-methylsulfany…

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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)	4.00	11.47	-13.05	0	4	0	42	382.51	3	↓ MOL2 SDF SMILES Flexibase

49544826

Analogs

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Popular Name: (7R)-3-methyl-7-(4-methylsulfanylphenyl)-4-phenyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7R)-3-methyl-7-(4-methylsulfany…

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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)	4.00	11.5	-10.92	0	4	0	42	382.51	3	↓ MOL2 SDF SMILES Flexibase

49544877

Analogs

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Popular Name: (7S)-4-(4-fluorophenyl)-3-methyl-7-[2-(trifluoromethoxy)phenyl]-6,7-dihydrothiazolo[4,5-b]pyridine-2 (7S)-4-(4-fluorophenyl)-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)	4.65	10.41	-8.78	0	5	0	52	438.402	4	↓ MOL2 SDF SMILES Flexibase

49544879

Analogs

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Popular Name: (7R)-4-(4-fluorophenyl)-3-methyl-7-[2-(trifluoromethoxy)phenyl]-6,7-dihydrothiazolo[4,5-b]pyridine-2 (7R)-4-(4-fluorophenyl)-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)	4.65	10.44	-9.55	0	5	0	52	438.402	4	↓ MOL2 SDF SMILES Flexibase

49544918

Analogs

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Popular Name: (7S)-3-methyl-7-phenyl-4-(3,4,5-trimethoxyphenyl)-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7S)-3-methyl-7-phenyl-4-(3,4,5-…

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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)	3.19	9.58	-14.07	0	7	0	70	426.494	5	↓ MOL2 SDF SMILES Flexibase

49544921

Analogs

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Popular Name: (7R)-3-methyl-7-phenyl-4-(3,4,5-trimethoxyphenyl)-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7R)-3-methyl-7-phenyl-4-(3,4,5-…

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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)	3.19	9.62	-12.43	0	7	0	70	426.494	5	↓ MOL2 SDF SMILES Flexibase

49544943

Analogs

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Popular Name: (7S)-7-[3-(difluoromethoxy)phenyl]-4-(3-fluorophenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2, (7S)-7-[3-(difluoromethoxy)pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.29	10.1	-13.8	0	5	0	52	420.412	4	↓ MOL2 SDF SMILES Flexibase

49544945

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Popular Name: (7R)-7-[3-(difluoromethoxy)phenyl]-4-(3-fluorophenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2, (7R)-7-[3-(difluoromethoxy)pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.29	10.14	-12.91	0	5	0	52	420.412	4	↓ MOL2 SDF SMILES Flexibase

49544952

Analogs

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Popular Name: (7S)-7-(2-chloro-6-fluoro-phenyl)-4-(4-chlorophenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5 (7S)-7-(2-chloro-6-fluoro-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)	4.99	11.38	-9.41	0	4	0	42	423.296	2	↓ MOL2 SDF SMILES Flexibase

49544954

Analogs

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Popular Name: (7R)-7-(2-chloro-6-fluoro-phenyl)-4-(4-chlorophenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5 (7R)-7-(2-chloro-6-fluoro-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)	4.99	11.42	-8.7	0	4	0	42	423.296	2	↓ MOL2 SDF SMILES Flexibase

49545006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (7S)-4-(4-methoxyphenyl)-3-methyl-7-(4-methylsulfanylphenyl)-6,7-dihydrothiazolo[4,5-b]pyridine-2,5- (7S)-4-(4-methoxyphenyl)-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)	4.05	10.77	-13.64	0	5	0	52	412.536	4	↓ MOL2 SDF SMILES Flexibase

49545008

Analogs

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Popular Name: (7R)-4-(4-methoxyphenyl)-3-methyl-7-(4-methylsulfanylphenyl)-6,7-dihydrothiazolo[4,5-b]pyridine-2,5- (7R)-4-(4-methoxyphenyl)-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)	4.05	10.8	-11.41	0	5	0	52	412.536	4	↓ MOL2 SDF SMILES Flexibase

49545050

Analogs

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Popular Name: (7S)-7-(3-methoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7S)-7-(3-methoxyphenyl)-4-(4-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	9.04	-11.97	0	6	0	61	396.468	4	↓ MOL2 SDF SMILES Flexibase

49545052

Analogs

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Popular Name: (7R)-7-(3-methoxyphenyl)-4-(4-methoxyphenyl)-3-methyl-6,7-dihydrothiazolo[4,5-b]pyridine-2,5-dione (7R)-7-(3-methoxyphenyl)-4-(4-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	9.07	-11.19	0	6	0	61	396.468	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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