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ZINC Item

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54647579

Analogs

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Popular Name: N-(4-phenylthiazol-2-yl)-3-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanam N-(4-phenylthiazol-2-yl)-3-[(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)	3.19	9.92	-15.11	1	6	0	79	411.527	5	↓ MOL2 SDF SMILES Flexibase

54647581

Analogs

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Popular Name: N-(4-phenylthiazol-2-yl)-3-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propanam N-(4-phenylthiazol-2-yl)-3-[(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)	3.19	9.88	-15.04	1	6	0	79	411.527	5	↓ MOL2 SDF SMILES Flexibase

54647600

Analogs

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Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-3-[(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)	4.00	10.55	-14.23	1	6	0	79	490.423	5	↓ MOL2 SDF SMILES Flexibase

54647602

Analogs

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Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-3-[(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)	4.00	10.5	-14.12	1	6	0	79	490.423	5	↓ MOL2 SDF SMILES Flexibase

54647604

Analogs

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Popular Name: N-[4-(p-tolyl)thiazol-2-yl]-3-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propa N-[4-(p-tolyl)thiazol-2-yl]-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)	3.64	10.8	-14.95	1	6	0	79	425.554	5	↓ MOL2 SDF SMILES Flexibase

54647605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(p-tolyl)thiazol-2-yl]-3-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]propa N-[4-(p-tolyl)thiazol-2-yl]-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)	3.64	10.72	-14.95	1	6	0	79	425.554	5	↓ MOL2 SDF SMILES Flexibase

54647608

Analogs

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Popular Name: N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-3-[(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)	3.86	11.39	-15.49	1	6	0	79	439.581	5	↓ MOL2 SDF SMILES Flexibase

54647609

Analogs

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Popular Name: N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-3-[(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)	3.86	11.3	-15.49	1	6	0	79	439.581	5	↓ MOL2 SDF SMILES Flexibase

54647615

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)thiazol-2-yl]-3-[(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)	3.63	10.35	-15.55	1	7	0	89	455.58	7	↓ MOL2 SDF SMILES Flexibase

54647617

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)thiazol-2-yl]-3-[(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)	3.63	10.27	-15.52	1	7	0	89	455.58	7	↓ MOL2 SDF SMILES Flexibase

54647640

Analogs

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Popular Name: N-[4-(4-nitrophenyl)thiazol-2-yl]-3-[(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)	3.15	10.64	-17.08	1	9	0	125	456.524	6	↓ MOL2 SDF SMILES Flexibase

54647643

Analogs

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Popular Name: N-[4-(4-nitrophenyl)thiazol-2-yl]-3-[(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)	3.15	10.59	-17.02	1	9	0	125	456.524	6	↓ MOL2 SDF SMILES Flexibase

54647817

Analogs

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Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-3-[(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)	3.87	10.44	-14.32	1	6	0	79	445.972	5	↓ MOL2 SDF SMILES Flexibase

54647819

Analogs

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Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-3-[(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)	3.87	10.4	-14.24	1	6	0	79	445.972	5	↓ MOL2 SDF SMILES Flexibase

54647821

Analogs

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Popular Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-3-[(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)	3.36	9.99	-14.73	1	6	0	79	429.517	5	↓ MOL2 SDF SMILES Flexibase

54647823

Analogs

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Popular Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-3-[(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)	3.36	9.95	-14.68	1	6	0	79	429.517	5	↓ MOL2 SDF SMILES Flexibase

54647825

Analogs

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-[(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)	3.25	9.22	-15.81	1	7	0	89	441.553	6	↓ MOL2 SDF SMILES Flexibase

54647827

Analogs

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-[(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)	3.25	9.18	-15.71	1	7	0	89	441.553	6	↓ MOL2 SDF SMILES Flexibase

54647829

Analogs

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Popular Name: N-[4-(4-propoxyphenyl)thiazol-2-yl]-3-[(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)	4.13	11.15	-15.24	1	7	0	89	469.607	8	↓ MOL2 SDF SMILES Flexibase

54647831

Analogs

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Popular Name: N-[4-(4-propoxyphenyl)thiazol-2-yl]-3-[(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)	4.13	11.07	-15.34	1	7	0	89	469.607	8	↓ MOL2 SDF SMILES Flexibase

54647838

Analogs

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Popular Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-3-[(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)	3.13	10.62	-20.17	1	9	0	125	456.524	6	↓ MOL2 SDF SMILES Flexibase

54647839

Analogs

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Popular Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-3-[(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)	3.13	10.57	-20.17	1	9	0	125	456.524	6	↓ MOL2 SDF SMILES Flexibase

54647841

Analogs

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Popular Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3-[(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)	4.02	11.35	-15.22	1	6	0	79	439.581	5	↓ MOL2 SDF SMILES Flexibase

54647843

Analogs

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Popular Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-3-[(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)	4.02	11.27	-15.27	1	6	0	79	439.581	5	↓ MOL2 SDF SMILES Flexibase

54647845

Analogs

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Popular Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-3-[(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)	4.48	11.37	-14.81	1	6	0	79	480.417	5	↓ MOL2 SDF SMILES Flexibase

54647847

Analogs

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Popular Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-3-[(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)	4.48	11.32	-14.75	1	6	0	79	480.417	5	↓ MOL2 SDF SMILES Flexibase

54647849

Analogs

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Popular Name: N-(5-methyl-4-phenyl-thiazol-2-yl)-3-[(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)	3.42	10.72	-15.42	1	6	0	79	425.554	5	↓ MOL2 SDF SMILES Flexibase

54647851

Analogs

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Popular Name: N-(5-methyl-4-phenyl-thiazol-2-yl)-3-[(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)	3.42	10.63	-15.42	1	6	0	79	425.554	5	↓ MOL2 SDF SMILES Flexibase

54647966

Analogs

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Popular Name: N-[4-(2-methoxyphenyl)thiazol-2-yl]-3-[(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)	3.20	9.69	-17.42	1	7	0	89	441.553	6	↓ MOL2 SDF SMILES Flexibase

54647968

Analogs

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Popular Name: N-[4-(2-methoxyphenyl)thiazol-2-yl]-3-[(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)	3.20	9.65	-17.34	1	7	0	89	441.553	6	↓ MOL2 SDF SMILES Flexibase

54647971

Analogs

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Popular Name: N-[4-(4-bromophenyl)-5-ethyl-thiazol-2-yl]-3-[(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)	4.80	12.37	-18.45	1	6	0	79	518.477	6	↓ MOL2 SDF SMILES Flexibase

54647973

Analogs

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Popular Name: N-[4-(4-bromophenyl)-5-ethyl-thiazol-2-yl]-3-[(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)	4.80	12.29	-18.44	1	6	0	79	518.477	6	↓ MOL2 SDF SMILES Flexibase

54647978

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-3-[(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)	3.85	10.93	-15.83	1	7	0	89	469.607	7	↓ MOL2 SDF SMILES Flexibase

54647980

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-3-[(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)	3.85	10.85	-15.83	1	7	0	89	469.607	7	↓ MOL2 SDF SMILES Flexibase

54648001

Analogs

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Popular Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-3-[(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)	3.58	10.78	-14.74	1	6	0	79	443.544	5	↓ MOL2 SDF SMILES Flexibase

54648003

Analogs

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Popular Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-3-[(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)	3.58	10.7	-14.82	1	6	0	79	443.544	5	↓ MOL2 SDF SMILES Flexibase

54648005

Analogs

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Popular Name: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-3-[(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)	4.22	11.34	-14.23	1	6	0	79	504.45	5	↓ MOL2 SDF SMILES Flexibase

54648007

Analogs

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Popular Name: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-3-[(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)	4.22	11.25	-14.34	1	6	0	79	504.45	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 131360
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 = 131360 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=131360&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', {
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    });
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