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54645356

Analogs

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Popular Name: N-(4-phenylthiazol-2-yl)-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamid N-(4-phenylthiazol-2-yl)-2-[(1S,…

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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)	3.29	9.53	-15.7	1	6	0	79	397.5	4	↓ MOL2 SDF SMILES Flexibase

54645358

Analogs

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Popular Name: N-(4-phenylthiazol-2-yl)-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]acetamid N-(4-phenylthiazol-2-yl)-2-[(1R,…

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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)	3.29	9.24	-14.87	1	6	0	79	397.5	4	↓ MOL2 SDF SMILES Flexibase

54645378

Analogs

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Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl N-[4-(4-bromophenyl)thiazol-2-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)	4.10	10.16	-14.89	1	6	0	79	476.396	4	↓ MOL2 SDF SMILES Flexibase

54645380

Analogs

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Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl N-[4-(4-bromophenyl)thiazol-2-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)	4.10	9.86	-13.99	1	6	0	79	476.396	4	↓ MOL2 SDF SMILES Flexibase

54645382

Analogs

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Popular Name: N-[4-(p-tolyl)thiazol-2-yl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]aceta N-[4-(p-tolyl)thiazol-2-yl]-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)	3.74	10.4	-15.66	1	6	0	79	411.527	4	↓ MOL2 SDF SMILES Flexibase

54645384

Analogs

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Popular Name: N-[4-(p-tolyl)thiazol-2-yl]-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]aceta N-[4-(p-tolyl)thiazol-2-yl]-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)	3.74	10.09	-14.8	1	6	0	79	411.527	4	↓ MOL2 SDF SMILES Flexibase

54645385

Analogs

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Popular Name: N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3 N-[5-methyl-4-(p-tolyl)thiazol-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)	3.96	10.99	-16.38	1	6	0	79	425.554	4	↓ MOL2 SDF SMILES Flexibase

54645388

Analogs

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Popular Name: N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3 N-[5-methyl-4-(p-tolyl)thiazol-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)	3.96	10.68	-15.33	1	6	0	79	425.554	4	↓ MOL2 SDF SMILES Flexibase

54645393

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-[4-(4-ethoxyphenyl)thiazol-2-y…

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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)	3.72	9.95	-16.19	1	7	0	89	441.553	6	↓ MOL2 SDF SMILES Flexibase

54645395

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)thiazol-2-yl]-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-[4-(4-ethoxyphenyl)thiazol-2-y…

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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)	3.72	9.63	-15.28	1	7	0	89	441.553	6	↓ MOL2 SDF SMILES Flexibase

54645420

Analogs

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Popular Name: N-[4-(4-nitrophenyl)thiazol-2-yl]-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl N-[4-(4-nitrophenyl)thiazol-2-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)	3.25	10.25	-17.63	1	9	0	125	442.497	5	↓ MOL2 SDF SMILES Flexibase

54645422

Analogs

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Popular Name: N-[4-(4-nitrophenyl)thiazol-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl N-[4-(4-nitrophenyl)thiazol-2-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)	3.25	9.95	-16.83	1	9	0	125	442.497	5	↓ MOL2 SDF SMILES Flexibase

54645600

Analogs

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Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-[4-(4-chlorophenyl)thiazol-2-y…

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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)	3.97	10.05	-14.92	1	6	0	79	431.945	4	↓ MOL2 SDF SMILES Flexibase

54645602

Analogs

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Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-[4-(4-chlorophenyl)thiazol-2-y…

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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)	3.97	9.76	-14.07	1	6	0	79	431.945	4	↓ MOL2 SDF SMILES Flexibase

54645603

Analogs

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Popular Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-[4-(4-fluorophenyl)thiazol-2-y…

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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	9.6	-15.36	1	6	0	79	415.49	4	↓ MOL2 SDF SMILES Flexibase

54645605

Analogs

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Popular Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-[4-(4-fluorophenyl)thiazol-2-y…

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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	9.31	-14.47	1	6	0	79	415.49	4	↓ MOL2 SDF SMILES Flexibase

54645607

Analogs

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3- N-[4-(4-methoxyphenyl)thiazol-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)	3.35	8.83	-16.5	1	7	0	89	427.526	5	↓ MOL2 SDF SMILES Flexibase

54645609

Analogs

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3- N-[4-(4-methoxyphenyl)thiazol-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)	3.35	8.54	-15.62	1	7	0	89	427.526	5	↓ MOL2 SDF SMILES Flexibase

54645610

Analogs

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Popular Name: N-[4-(4-propoxyphenyl)thiazol-2-yl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3- N-[4-(4-propoxyphenyl)thiazol-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)	4.22	10.75	-15.95	1	7	0	89	455.58	7	↓ MOL2 SDF SMILES Flexibase

54645613

Analogs

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Popular Name: N-[4-(4-propoxyphenyl)thiazol-2-yl]-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3- N-[4-(4-propoxyphenyl)thiazol-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)	4.22	10.44	-15.02	1	7	0	89	455.58	7	↓ MOL2 SDF SMILES Flexibase

54645618

Analogs

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Popular Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl N-[4-(3-nitrophenyl)thiazol-2-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)	3.23	10.23	-21	1	9	0	125	442.497	5	↓ MOL2 SDF SMILES Flexibase

54645620

Analogs

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Popular Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl N-[4-(3-nitrophenyl)thiazol-2-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)	3.23	9.93	-20.16	1	9	0	125	442.497	5	↓ MOL2 SDF SMILES Flexibase

54645622

Analogs

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Popular Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan N-[4-(3,4-dimethylphenyl)thiazol…

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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)	4.12	10.95	-15.92	1	6	0	79	425.554	4	↓ MOL2 SDF SMILES Flexibase

54645624

Analogs

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Popular Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan N-[4-(3,4-dimethylphenyl)thiazol…

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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)	4.12	10.63	-15.04	1	6	0	79	425.554	4	↓ MOL2 SDF SMILES Flexibase

54645627

Analogs

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Popular Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan N-[4-(2,4-dichlorophenyl)thiazol…

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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)	4.57	10.98	-15.61	1	6	0	79	466.39	4	↓ MOL2 SDF SMILES Flexibase

54645628

Analogs

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Popular Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan N-[4-(2,4-dichlorophenyl)thiazol…

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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)	4.57	10.68	-14.73	1	6	0	79	466.39	4	↓ MOL2 SDF SMILES Flexibase

54645630

Analogs

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Popular Name: N-(5-methyl-4-phenyl-thiazol-2-yl)-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-(5-methyl-4-phenyl-thiazol-2-y…

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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)	3.51	10.32	-16.24	1	6	0	79	411.527	4	↓ MOL2 SDF SMILES Flexibase

54645633

Analogs

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Popular Name: N-(5-methyl-4-phenyl-thiazol-2-yl)-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-y N-(5-methyl-4-phenyl-thiazol-2-y…

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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)	3.51	10	-15.24	1	6	0	79	411.527	4	↓ MOL2 SDF SMILES Flexibase

54645754

Analogs

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Popular Name: N-[4-(2-methoxyphenyl)thiazol-2-yl]-2-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3- N-[4-(2-methoxyphenyl)thiazol-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)	3.30	9.31	-18.1	1	7	0	89	427.526	5	↓ MOL2 SDF SMILES Flexibase

54645757

Analogs

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Popular Name: N-[4-(2-methoxyphenyl)thiazol-2-yl]-2-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3- N-[4-(2-methoxyphenyl)thiazol-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)	3.30	9.01	-17.17	1	7	0	89	427.526	5	↓ MOL2 SDF SMILES Flexibase

54645758

Analogs

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Popular Name: N-[4-(4-bromophenyl)-5-ethyl-thiazol-2-yl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]o N-[4-(4-bromophenyl)-5-ethyl-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)	4.89	11.97	-19.01	1	6	0	79	504.45	5	↓ MOL2 SDF SMILES Flexibase

54645760

Analogs

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Popular Name: N-[4-(4-bromophenyl)-5-ethyl-thiazol-2-yl]-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]o N-[4-(4-bromophenyl)-5-ethyl-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)	4.89	11.66	-17.58	1	6	0	79	504.45	5	↓ MOL2 SDF SMILES Flexibase

54645766

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1 N-[4-(4-ethoxyphenyl)-5-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)	3.94	10.53	-16.64	1	7	0	89	455.58	6	↓ MOL2 SDF SMILES Flexibase

54645768

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1 N-[4-(4-ethoxyphenyl)-5-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)	3.94	10.22	-15.61	1	7	0	89	455.58	6	↓ MOL2 SDF SMILES Flexibase

54645790

Analogs

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Popular Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1 N-[4-(4-fluorophenyl)-5-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)	3.67	10.38	-15.47	1	6	0	79	429.517	4	↓ MOL2 SDF SMILES Flexibase

54645791

Analogs

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Popular Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1 N-[4-(4-fluorophenyl)-5-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)	3.67	10.06	-14.49	1	6	0	79	429.517	4	↓ MOL2 SDF SMILES Flexibase

54645793

Analogs

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Popular Name: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-2-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1] N-[4-(4-bromophenyl)-5-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)	4.32	10.94	-15.08	1	6	0	79	490.423	4	↓ MOL2 SDF SMILES Flexibase

54645795

Analogs

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Popular Name: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-2-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1] N-[4-(4-bromophenyl)-5-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)	4.32	10.62	-14.08	1	6	0	79	490.423	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 130184
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 130184 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=130184&filter.purchasability=annotated

Embed Link to Results

<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', {
        "ring.id": "130184"        

    });
</script>

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