ZINC 12

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ZINC Item

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67172625

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-difluorophenyl)-2H-1,2,4-benzothiadiazin-3(4H)-one 1,1-dioxide 2-(2,5-difluorophenyl)-2H-1,2,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.74	4.13	-16.27	1	5	0	66	310.281	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.37	2.12	-49.28	0	5	-1	73	309.273	1	↓ MOL2 SDF SMILES Flexibase

67245890

Analogs

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Popular Name: 2-benzyl-4-(m-tolyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-benzyl-4-(m-tolyl)-1,1-dioxo-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	9.31	-13.92	0	6	0	71	379.441	3	↓ MOL2 SDF SMILES Flexibase

41247042

Analogs

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Popular Name: 2,7-dimethyl-1,1-dioxo-4H-benzo[e][1,2,4]thiadiazin-3-one 2,7-dimethyl-1,1-dioxo-4H-benzo[…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.21	1.19	-12.22	1	5	0	66	226.257	0	↓ MOL2 SDF SMILES Flexibase

49420916

Analogs

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Popular Name: 2-[1,1,3-trioxo-4-(p-tolyl)pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetonitrile 2-[1,1,3-trioxo-4-(p-tolyl)pyrid…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.06	6.04	-17.72	0	7	0	94	328.353	2	↓ MOL2 SDF SMILES Flexibase

49420917

Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl]-1,1-dioxo-4-(p-tolyl)pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(4-fluorophenyl)methyl]-1,1-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)	3.84	9.38	-13.18	0	6	0	71	397.431	3	↓ MOL2 SDF SMILES Flexibase

49420918

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methoxyphenyl)methyl]-1,1-dioxo-4-(p-tolyl)pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(3-methoxyphenyl)methyl]-1,1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	8.61	-15.81	0	7	0	80	409.467	4	↓ MOL2 SDF SMILES Flexibase

49420919

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)	3.01	8.24	-17.15	0	9	0	110	427.438	5	↓ MOL2 SDF SMILES Flexibase

49420920

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-1,1-dioxo-4-(p-tolyl)pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(3,5-dimethylisoxazol-4-yl)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)	2.53	7.62	-15.29	0	8	0	97	398.444	3	↓ MOL2 SDF SMILES Flexibase

49420921

Analogs

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Popular Name: 3-[[1,1,3-trioxo-4-(p-tolyl)pyrido[2,3-e][1,2,4]thiadiazin-2-yl]methyl]benzonitrile 3-[[1,1,3-trioxo-4-(p-tolyl)pyri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	9.7	-15.97	0	7	0	94	404.451	3	↓ MOL2 SDF SMILES Flexibase

49420922

Analogs

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Popular Name: 2-[2-(4-fluorophenoxy)ethyl]-1,1-dioxo-4-(p-tolyl)pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[2-(4-fluorophenoxy)ethyl]-1,1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.12	9.79	-16.17	0	7	0	80	427.457	5	↓ MOL2 SDF SMILES Flexibase

49420923

Analogs

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Popular Name: isopropyl isopropyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	8.17	-18.4	0	8	0	97	389.433	5	↓ MOL2 SDF SMILES Flexibase

49420924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methoxyphenyl)-2-(o-tolylmethyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(3-methoxyphenyl)-2-(o-tolylme…

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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)	3.66	8.56	-17.98	0	7	0	80	409.467	4	↓ MOL2 SDF SMILES Flexibase

49420925

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-methoxyphenyl)-1,1-dioxo-2-(p-tolylmethyl)pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(3-methoxyphenyl)-1,1-dioxo-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)	3.71	8.59	-15.75	0	7	0	80	409.467	4	↓ MOL2 SDF SMILES Flexibase

49420926

Analogs

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Popular Name: 4-(3-methoxyphenyl)-1,1-dioxo-2-[(4-vinylphenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(3-methoxyphenyl)-1,1-dioxo-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)	4.11	9.02	-15.89	0	7	0	80	421.478	5	↓ MOL2 SDF SMILES Flexibase

49420927

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(3-methoxyphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3 2-[(3,5-dimethylisoxazol-4-yl)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)	2.12	6.36	-17.36	0	9	0	106	414.443	4	↓ MOL2 SDF SMILES Flexibase

49420928

Analogs

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Popular Name: 3-[[4-(3-methoxyphenyl)-1,1,3-trioxo-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]methyl]benzonitrile 3-[[4-(3-methoxyphenyl)-1,1,3-tr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.99	8.33	-18.19	0	8	0	104	420.45	4	↓ MOL2 SDF SMILES Flexibase

49420929

Analogs

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Popular Name: 2-[4-(4-methoxyphenyl)-1,1,3-trioxo-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetonitrile 2-[4-(4-methoxyphenyl)-1,1,3-tri…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.67	4.66	-18.31	0	8	0	104	344.352	3	↓ MOL2 SDF SMILES Flexibase

49420930

Analogs

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Popular Name: 4-(4-methoxyphenyl)-2-(o-tolylmethyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(4-methoxyphenyl)-2-(o-tolylme…

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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	8.55	-15.61	0	7	0	80	409.467	4	↓ MOL2 SDF SMILES Flexibase

49420931

Analogs

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Popular Name: 2-[(4-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(4-chlorophenyl)methyl]-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)	3.96	8.45	-13.21	0	7	0	80	429.885	4	↓ MOL2 SDF SMILES Flexibase

49420932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-chlorophenyl)methyl]-4-(4-methoxyphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(3-chlorophenyl)methyl]-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)	3.94	8.44	-14.1	0	7	0	80	429.885	4	↓ MOL2 SDF SMILES Flexibase

49420933

Analogs

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Popular Name: 2-[(3-fluorophenyl)methyl]-4-(4-methoxyphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(3-fluorophenyl)methyl]-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)	3.42	8	-14.83	0	7	0	80	413.43	4	↓ MOL2 SDF SMILES Flexibase

49420934

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.12	6.07	-18.39	0	9	0	106	391.405	6	↓ MOL2 SDF SMILES Flexibase

49420935

Analogs

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Popular Name: 4-(4-methoxyphenyl)-1,1-dioxo-2-(p-tolylmethyl)pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(4-methoxyphenyl)-1,1-dioxo-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)	3.73	8.59	-14.08	0	7	0	80	409.467	4	↓ MOL2 SDF SMILES Flexibase

49420936

Analogs

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Popular Name: 4-(4-methoxyphenyl)-1,1-dioxo-2-[(4-vinylphenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(4-methoxyphenyl)-1,1-dioxo-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)	4.14	9.02	-14.25	0	7	0	80	421.478	5	↓ MOL2 SDF SMILES Flexibase

49420937

Analogs

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Popular Name: 4-(4-methoxyphenyl)-2-[(3-methoxyphenyl)methyl]-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(4-methoxyphenyl)-2-[(3-methox…

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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)	3.32	7.23	-16.11	0	8	0	89	425.466	5	↓ MOL2 SDF SMILES Flexibase

49420938

Analogs

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Popular Name: 2-benzyl-4-(4-methoxyphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-benzyl-4-(4-methoxyphenyl)-1,1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	7.93	-14.01	0	7	0	80	395.44	4	↓ MOL2 SDF SMILES Flexibase

49420939

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(4-methoxyphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3 2-[(3,5-dimethylisoxazol-4-yl)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)	2.14	6.35	-15.42	0	9	0	106	414.443	4	↓ MOL2 SDF SMILES Flexibase

49420940

Analogs

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Popular Name: 2-[(3,5-difluorophenyl)methyl]-4-(4-methoxyphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(3,5-difluorophenyl)methyl]-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)	3.54	8.06	-13.67	0	7	0	80	431.42	4	↓ MOL2 SDF SMILES Flexibase

49420941

Analogs

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Popular Name: 2-[(2,5-difluorophenyl)methyl]-4-(4-methoxyphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(2,5-difluorophenyl)methyl]-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)	3.54	8.02	-14.95	0	7	0	80	431.42	4	↓ MOL2 SDF SMILES Flexibase

49420942

Analogs

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Popular Name: 2-[4-(3-methylsulfanylphenyl)-1,1,3-trioxo-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetonitrile 2-[4-(3-methylsulfanylphenyl)-1,…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.02	6.39	-19.73	0	7	0	94	360.42	3	↓ MOL2 SDF SMILES Flexibase

49420943

Analogs

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Popular Name: 2-[(2-fluorophenyl)methyl]-4-(3-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(2-fluorophenyl)methyl]-4-(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)	3.75	9.68	-17.45	0	6	0	71	429.498	4	↓ MOL2 SDF SMILES Flexibase

49420944

Analogs

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Popular Name: 2-[(3-fluorophenyl)methyl]-4-(3-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(3-fluorophenyl)methyl]-4-(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)	3.78	9.72	-16.13	0	6	0	71	429.498	4	↓ MOL2 SDF SMILES Flexibase

49420945

Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl]-4-(3-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(4-fluorophenyl)methyl]-4-(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)	3.80	9.72	-14.81	0	6	0	71	429.498	4	↓ MOL2 SDF SMILES Flexibase

49420946

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Popular Name: 2-[(3-methoxyphenyl)methyl]-4-(3-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-on 2-[(3-methoxyphenyl)methyl]-4-(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)	3.67	8.95	-16.93	0	7	0	80	441.534	5	↓ MOL2 SDF SMILES Flexibase

49420947

Analogs

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Popular Name: 2-benzyl-4-(3-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-benzyl-4-(3-methylsulfanylphen…

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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	9.66	-15.23	0	6	0	71	411.508	4	↓ MOL2 SDF SMILES Flexibase

49420948

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(3-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiad 2-[(3,5-dimethylisoxazol-4-yl)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)	2.49	8.08	-16.95	0	8	0	97	430.511	4	↓ MOL2 SDF SMILES Flexibase

49420949

Analogs

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Popular Name: 3-[[4-(3-methylsulfanylphenyl)-1,1,3-trioxo-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]methyl]benzonitrile 3-[[4-(3-methylsulfanylphenyl)-1…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	10.05	-17.73	0	7	0	94	436.518	4	↓ MOL2 SDF SMILES Flexibase

49420950

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	7.8	-17.95	0	8	0	97	407.473	6	↓ MOL2 SDF SMILES Flexibase

49420951

Analogs

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Popular Name: 2-[(4-fluorophenyl)methyl]-4-(4-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-[(4-fluorophenyl)methyl]-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)	3.83	9.73	-13.31	0	6	0	71	429.498	4	↓ MOL2 SDF SMILES Flexibase

49420952

Analogs

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Popular Name: 2-[(3-methoxyphenyl)methyl]-4-(4-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-on 2-[(3-methoxyphenyl)methyl]-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)	3.69	8.95	-15.35	0	7	0	80	441.534	5	↓ MOL2 SDF SMILES Flexibase

49420953

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(4-methylsulfanylphenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiad 2-[(3,5-dimethylisoxazol-4-yl)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)	2.52	8.09	-14.95	0	8	0	97	430.511	4	↓ MOL2 SDF SMILES Flexibase

49420954

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)	2.12	6.87	-18.1	0	8	0	97	393.446	5	↓ MOL2 SDF SMILES Flexibase

49420955

Analogs

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Popular Name: 4-(3-fluorophenyl)-2-(o-tolylmethyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(3-fluorophenyl)-2-(o-tolylmet…

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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	9.33	-16.41	0	6	0	71	397.431	3	↓ MOL2 SDF SMILES Flexibase

49420956

Analogs

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Popular Name: 4-(3-fluorophenyl)-2-[(2-fluorophenyl)methyl]-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(3-fluorophenyl)-2-[(2-fluorop…

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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)	3.48	8.72	-16.16	0	6	0	71	401.394	3	↓ MOL2 SDF SMILES Flexibase

49420957

Analogs

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Popular Name: 4-(3-fluorophenyl)-1,1-dioxo-2-(p-tolylmethyl)pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(3-fluorophenyl)-1,1-dioxo-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)	3.82	9.36	-14.13	0	6	0	71	397.431	3	↓ MOL2 SDF SMILES Flexibase

49420958

Analogs

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Popular Name: 4-(3-fluorophenyl)-2-(m-tolylmethyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(3-fluorophenyl)-2-(m-tolylmet…

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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)	3.79	9.35	-14.17	0	6	0	71	397.431	3	↓ MOL2 SDF SMILES Flexibase

49420959

Analogs

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Popular Name: 4-(3-fluorophenyl)-1,1-dioxo-2-[(4-vinylphenyl)methyl]pyrido[2,3-e][1,2,4]thiadiazin-3-one 4-(3-fluorophenyl)-1,1-dioxo-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	9.78	-14.33	0	6	0	71	409.442	4	↓ MOL2 SDF SMILES Flexibase

49420960

Analogs

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Popular Name: 2-benzyl-4-(3-fluorophenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3-one 2-benzyl-4-(3-fluorophenyl)-1,1-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.37	8.69	-14.04	0	6	0	71	383.404	3	↓ MOL2 SDF SMILES Flexibase

49420961

Analogs

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Popular Name: tert-butyl tert-butyl

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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)	3.02	7.96	-18.42	0	8	0	97	407.423	5	↓ MOL2 SDF SMILES Flexibase

49420962

Analogs

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Popular Name: 2-[(3,5-dimethylisoxazol-4-yl)methyl]-4-(3-fluorophenyl)-1,1-dioxo-pyrido[2,3-e][1,2,4]thiadiazin-3- 2-[(3,5-dimethylisoxazol-4-yl)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)	2.22	7.13	-16.02	0	8	0	97	402.407	3	↓ MOL2 SDF SMILES Flexibase

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