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ZINC Item

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54646789

Analogs

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Popular Name: N-(4-phenylthiazol-2-yl)-4-[(1S,5R)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]butanami N-(4-phenylthiazol-2-yl)-4-[(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)	3.46	10.73	-16.87	1	6	0	79	425.554	6	↓ MOL2 SDF SMILES Flexibase

54646791

Analogs

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Popular Name: N-(4-phenylthiazol-2-yl)-4-[(1R,5S)-1,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]butanami N-(4-phenylthiazol-2-yl)-4-[(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)	3.46	10.67	-16.82	1	6	0	79	425.554	6	↓ MOL2 SDF SMILES Flexibase

54646812

Analogs

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Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-4-[(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)	4.27	11.35	-15.99	1	6	0	79	504.45	6	↓ MOL2 SDF SMILES Flexibase

54646814

Analogs

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Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-4-[(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)	4.27	11.3	-15.92	1	6	0	79	504.45	6	↓ MOL2 SDF SMILES Flexibase

54646816

Analogs

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Popular Name: N-[4-(p-tolyl)thiazol-2-yl]-4-[(1S,5R)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]butan N-[4-(p-tolyl)thiazol-2-yl]-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)	3.91	11.61	-16.77	1	6	0	79	439.581	6	↓ MOL2 SDF SMILES Flexibase

54646818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(p-tolyl)thiazol-2-yl]-4-[(1R,5S)-5,8,8-trimethyl-2,4-dioxo-3-azabicyclo[3.2.1]octan-3-yl]butan N-[4-(p-tolyl)thiazol-2-yl]-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)	3.91	11.52	-16.69	1	6	0	79	439.581	6	↓ MOL2 SDF SMILES Flexibase

54646820

Analogs

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Popular Name: N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-4-[(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)	4.13	12.19	-17.29	1	6	0	79	453.608	6	↓ MOL2 SDF SMILES Flexibase

54646822

Analogs

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Popular Name: N-[5-methyl-4-(p-tolyl)thiazol-2-yl]-4-[(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)	4.13	12.11	-17.15	1	6	0	79	453.608	6	↓ MOL2 SDF SMILES Flexibase

54646828

Analogs

8061439

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Popular Name: N-[4-(4-ethoxyphenyl)thiazol-2-yl]-4-[(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)	3.90	11.17	-17.38	1	7	0	89	469.607	8	↓ MOL2 SDF SMILES Flexibase

54646830

Analogs

8061439

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Popular Name: N-[4-(4-ethoxyphenyl)thiazol-2-yl]-4-[(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)	3.90	11.07	-17.26	1	7	0	89	469.607	8	↓ MOL2 SDF SMILES Flexibase

54646854

Analogs

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Popular Name: N-[4-(4-nitrophenyl)thiazol-2-yl]-4-[(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)	3.42	11.44	-18.92	1	9	0	125	470.551	7	↓ MOL2 SDF SMILES Flexibase

54646857

Analogs

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Popular Name: N-[4-(4-nitrophenyl)thiazol-2-yl]-4-[(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)	3.42	11.39	-18.82	1	9	0	125	470.551	7	↓ MOL2 SDF SMILES Flexibase

54647044

Analogs

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Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-4-[(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)	4.14	11.25	-16.14	1	6	0	79	459.999	6	↓ MOL2 SDF SMILES Flexibase

54647046

Analogs

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Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-4-[(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)	4.14	11.2	-16	1	6	0	79	459.999	6	↓ MOL2 SDF SMILES Flexibase

54647048

Analogs

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Popular Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-4-[(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)	3.63	10.8	-16.51	1	6	0	79	443.544	6	↓ MOL2 SDF SMILES Flexibase

54647049

Analogs

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Popular Name: N-[4-(4-fluorophenyl)thiazol-2-yl]-4-[(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)	3.63	10.74	-16.42	1	6	0	79	443.544	6	↓ MOL2 SDF SMILES Flexibase

54647050

Analogs

8061439

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-4-[(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)	3.52	10.03	-17.63	1	7	0	89	455.58	7	↓ MOL2 SDF SMILES Flexibase

54647051

Analogs

8061439

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Popular Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-4-[(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)	3.52	9.97	-17.5	1	7	0	89	455.58	7	↓ MOL2 SDF SMILES Flexibase

54647052

Analogs

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Popular Name: N-[4-(4-propoxyphenyl)thiazol-2-yl]-4-[(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)	4.40	11.95	-17.12	1	7	0	89	483.634	9	↓ MOL2 SDF SMILES Flexibase

54647053

Analogs

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Popular Name: N-[4-(4-propoxyphenyl)thiazol-2-yl]-4-[(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)	4.40	11.87	-16.97	1	7	0	89	483.634	9	↓ MOL2 SDF SMILES Flexibase

54647060

Analogs

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Popular Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-4-[(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)	3.40	11.42	-21.95	1	9	0	125	470.551	7	↓ MOL2 SDF SMILES Flexibase

54647062

Analogs

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Popular Name: N-[4-(3-nitrophenyl)thiazol-2-yl]-4-[(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)	3.40	11.37	-21.84	1	9	0	125	470.551	7	↓ MOL2 SDF SMILES Flexibase

54647064

Analogs

8061673

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Popular Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-4-[(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)	4.29	12.16	-17.04	1	6	0	79	453.608	6	↓ MOL2 SDF SMILES Flexibase

54647066

Analogs

8061673

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Popular Name: N-[4-(3,4-dimethylphenyl)thiazol-2-yl]-4-[(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)	4.29	12.07	-16.93	1	6	0	79	453.608	6	↓ MOL2 SDF SMILES Flexibase

54647068

Analogs

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Popular Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-4-[(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)	4.75	12.17	-16.56	1	6	0	79	494.444	6	↓ MOL2 SDF SMILES Flexibase

54647070

Analogs

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Popular Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-4-[(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)	4.75	12.12	-16.5	1	6	0	79	494.444	6	↓ MOL2 SDF SMILES Flexibase

54647071

Analogs

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Popular Name: N-(5-methyl-4-phenyl-thiazol-2-yl)-4-[(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)	3.68	11.52	-17.3	1	6	0	79	439.581	6	↓ MOL2 SDF SMILES Flexibase

54647073

Analogs

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Popular Name: N-(5-methyl-4-phenyl-thiazol-2-yl)-4-[(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)	3.68	11.44	-17.17	1	6	0	79	439.581	6	↓ MOL2 SDF SMILES Flexibase

54647179

Analogs

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Popular Name: N-[4-(2-methoxyphenyl)thiazol-2-yl]-4-[(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)	3.47	10.5	-19.06	1	7	0	89	455.58	7	↓ MOL2 SDF SMILES Flexibase

54647181

Analogs

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Popular Name: N-[4-(2-methoxyphenyl)thiazol-2-yl]-4-[(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)	3.47	10.45	-19.03	1	7	0	89	455.58	7	↓ MOL2 SDF SMILES Flexibase

54647186

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-4-[(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)	4.12	11.74	-17.7	1	7	0	89	483.634	8	↓ MOL2 SDF SMILES Flexibase

54647188

Analogs

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Popular Name: N-[4-(4-ethoxyphenyl)-5-methyl-thiazol-2-yl]-4-[(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)	4.12	11.65	-17.62	1	7	0	89	483.634	8	↓ MOL2 SDF SMILES Flexibase

54647208

Analogs

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Popular Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-4-[(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)	3.85	11.59	-16.57	1	6	0	79	457.571	6	↓ MOL2 SDF SMILES Flexibase

54647209

Analogs

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Popular Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-4-[(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)	3.85	11.5	-16.52	1	6	0	79	457.571	6	↓ MOL2 SDF SMILES Flexibase

54647211

Analogs

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Popular Name: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-4-[(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)	4.49	12.14	-16.19	1	6	0	79	518.477	6	↓ MOL2 SDF SMILES Flexibase

54647212

Analogs

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Popular Name: N-[4-(4-bromophenyl)-5-methyl-thiazol-2-yl]-4-[(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)	4.49	12.06	-15.98	1	6	0	79	518.477	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 130913
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 = 130913 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=130913&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": "130913"        

    });
</script>

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