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ZINC Item

Suppliers, Protomers, & Similar Substances

52842179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-ethylbenzimidazol-2-yl)methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxam N-[(1-ethylbenzimidazol-2-yl)met…

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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)	1.18	5.24	-26.56	1	8	0	98	385.449	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.18	5.74	-53.54	2	8	1	100	386.457	4	↓ MOL2 SDF SMILES Flexibase

17972319

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(4-methylsulfanylphenyl)methyl]-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-c N-methyl-N-[(4-methylsulfanylphe…

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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)	1.35	6.96	-24.69	0	6	0	72	377.491	4	↓ MOL2 SDF SMILES Flexibase

17973563

Analogs

15768727

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(2,6-dimethylphenyl)amino]-2-oxo-ethyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thia N-[2-[(2,6-dimethylphenyl)amino]…

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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)	0.55	6.14	-32.03	1	8	0	101	402.476	4	↓ MOL2 SDF SMILES Flexibase

17981904

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-morpholino-2-oxo-1-phenyl-ethyl] [(1R)-2-morpholino-2-oxo-1-pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	6.69	-26.58	0	9	0	107	431.47	5	↓ MOL2 SDF SMILES Flexibase

17981906

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-morpholino-2-oxo-1-phenyl-ethyl] [(1S)-2-morpholino-2-oxo-1-pheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.16	6.71	-26.63	0	9	0	107	431.47	5	↓ MOL2 SDF SMILES Flexibase

17981974

Analogs

12865616
12865625

Draw Identity 99% 90% 80% 70%

Popular Name: [(1S)-2-diethylamino-2-oxo-1-phenyl-ethyl] [(1S)-2-diethylamino-2-oxo-1-phe…

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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	8.8	-26.72	0	8	0	98	417.487	7	↓ MOL2 SDF SMILES Flexibase

17981976

Analogs

12865616
12865625

Draw Identity 99% 90% 80% 70%

Popular Name: [(1R)-2-diethylamino-2-oxo-1-phenyl-ethyl] [(1R)-2-diethylamino-2-oxo-1-phe…

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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	9.08	-26.39	0	8	0	98	417.487	7	↓ MOL2 SDF SMILES Flexibase

11986084

Analogs

12828774

Draw Identity 99% 90% 80% 70%

Popular Name: 4,4-dioxo-N-(4,5,6,7-tetrahydrobenzothiazol-2-yl)-4$l^{6}-thia-1,5-diazabicyclo[4.4.0]deca-5,7,9-tri 4,4-dioxo-N-(4,5,6,7-tetrahydrob…

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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)	1.73	-6.13	-27.03	1	7	0	93	364.452	2	↓ MOL2 SDF SMILES Flexibase

12016641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(3-chlorophenyl)methyl]thiazol-2-yl]-4,4-dioxo-4$l^{6}-thia-1,5-diazabicyclo[4.4.0]deca-5,7,9- N-[5-[(3-chlorophenyl)methyl]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)	3.35	-5.38	-28.04	1	7	0	93	434.93	4	↓ MOL2 SDF SMILES Flexibase

53544942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-methyl-3-pyrazol-1-yl-propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbo N-[(2S)-2-methyl-3-pyrazol-1-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)	0.24	4.04	-40.02	1	8	0	98	349.416	5	↓ MOL2 SDF SMILES Flexibase

53544945

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-methyl-3-pyrazol-1-yl-propyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carbo N-[(2R)-2-methyl-3-pyrazol-1-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)	0.24	3.99	-40.22	1	8	0	98	349.416	5	↓ MOL2 SDF SMILES Flexibase

21533085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazin-7-yl)-[4-[5-(trifluoromethyl)-2-pyridyl]-1,4-di (2,2-dioxo-3,4-dihydropyrido[6,1…

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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)	1.37	6.62	-26.62	0	8	0	88	455.462	3	↓ MOL2 SDF SMILES Flexibase

12216042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4,4-dioxo-4$l^{6}-thia-1,5-diazabicyclo[4.4.0]deca-5,7,9-trien-9-yl)-(9-thia-4-azabicyclo[4.3.0]non (4,4-dioxo-4$l^{6}-thia-1,5-diaz…

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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)	0.78	-5.12	-22.87	0	6	0	72	349.437	1	↓ MOL2 SDF SMILES Flexibase

53896296

Analogs

8366923
8366924

Draw Identity 99% 90% 80% 70%

Popular Name: (2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)me (2,2-dioxo-3,4-dihydropyrido[2,1…

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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)	2.59	6.33	-21.92	0	6	0	72	357.435	1	↓ MOL2 SDF SMILES Flexibase

22745862

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (6-chloro-3-pyridyl)methyl (6-chloro-3-pyridyl)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)	1.76	5.14	-24.8	0	7	0	91	353.787	4	↓ MOL2 SDF SMILES Flexibase

22762069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dioxo-N-prop-2-ynyl-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide 2,2-dioxo-N-prop-2-ynyl-3,4-dihy…

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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)	-0.10	1.49	-22.32	1	6	0	81	265.294	2	↓ MOL2 SDF SMILES Flexibase

23038553

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-ethoxy-3-methoxy-phenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine- N-[(4-ethoxy-3-methoxy-phenyl)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)	0.94	6.07	-28.21	0	8	0	90	405.476	6	↓ MOL2 SDF SMILES Flexibase

23041181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methoxy-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide N-methoxy-2,2-dioxo-3,4-dihydrop…

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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)	-0.30	1.14	-27.57	1	7	0	90	257.271	2	↓ MOL2 SDF SMILES Flexibase

23041716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(m-tolylmethyl)-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide N-(m-tolylmethyl)-2,2-dioxo-3,4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.56	4.63	-23.39	1	6	0	81	331.397	3	↓ MOL2 SDF SMILES Flexibase

23041798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[5-[(2-chloro-3-methyl-phenyl)methyl]thiazol-2-yl]-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadi N-[5-[(2-chloro-3-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.72	8.19	-29.78	1	7	0	93	448.957	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.79	7.21	-48.62	0	7	-1	100	447.949	4	↓ MOL2 SDF SMILES Flexibase

23041961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]th N-cyclopropyl-N-[[4-(cyclopropyl…

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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)	0.84	6.88	-30.2	1	8	0	101	440.525	6	↓ MOL2 SDF SMILES Flexibase

23041972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadia N-cyclopropyl-N-[[4-(methylcarba…

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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)	0.47	5	-32.18	1	8	0	101	414.487	5	↓ MOL2 SDF SMILES Flexibase

23041981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadia N-[[4-(cyclopropylcarbamoyl)phen…

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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)	0.47	5.94	-30.5	1	8	0	101	414.487	5	↓ MOL2 SDF SMILES Flexibase

62580161

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dioxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9- 2,2-dioxo-N-[[6-(1,2,4-triazol-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)	-0.86	6.18	-40.79	1	10	0	124	385.409	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.79	4.16	-75.4	0	10	-1	130	384.401	4	↓ MOL2 SDF SMILES Flexibase

26141016

Analogs

31985236

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclobutylmethyl)-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide N-(cyclobutylmethyl)-2,2-dioxo-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)	0.78	3.11	-24.16	1	6	0	81	295.364	3	↓ MOL2 SDF SMILES Flexibase

57993918

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)	-0.06	2.68	-28.47	1	8	0	107	327.362	6	↓ MOL2 SDF SMILES Flexibase

57997173

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,2-dioxo-N-[[6-(1,2,4-triazol-1-yl)-3-pyridyl]methyl]-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7- 2,2-dioxo-N-[[6-(1,2,4-triazol-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)	-0.54	5.83	-28.66	1	10	0	124	385.409	4	↓ MOL2 SDF SMILES Flexibase

58322891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-3,5-dichloro-phenyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide N-(4-amino-3,5-dichloro-phenyl)-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	2.92	-23.82	3	7	0	107	387.248	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.20	1.26	-41.27	2	7	-1	113	386.24	2	↓ MOL2 SDF SMILES Flexibase

58324122

Analogs

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Popular Name: N'-(2-methylbenzoyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carbohydrazide N'-(2-methylbenzoyl)-2,2-dioxo-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)	0.93	3.36	-24.71	2	8	0	110	360.395	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.00	1.81	-50.32	1	8	-1	116	359.387	3	↓ MOL2 SDF SMILES Flexibase

58348429

Analogs

26064174
26064177
8184993

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-(dimethylamino)cycloheptyl]methyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carb N-[[1-(dimethylamino)cycloheptyl…

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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)	2.25	5.75	-64.22	2	7	1	85	381.522	4	↓ MOL2 SDF SMILES Flexibase

14015145

Analogs

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Popular Name: 2,2-dioxo-N-(4-phenoxybutyl)-3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carboxamide 2,2-dioxo-N-(4-phenoxybutyl)-3,4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.96	5.15	-25.99	1	7	0	90	375.45	7	↓ MOL2 SDF SMILES Flexibase

14015254

Analogs

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Popular Name: N-[4-(isopropylsulfamoyl)phenyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-9-carboxamide N-[4-(isopropylsulfamoyl)phenyl]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.86	1.84	-43.97	2	9	0	127	424.504	5	↓ MOL2 SDF SMILES Flexibase

14015530

Analogs

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Popular Name: [2-[[(1R)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] [2-[[(1R)-1-cyano-1,2-dimethyl-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)	0.50	4.8	-44.75	1	9	0	131	380.426	6	↓ MOL2 SDF SMILES Flexibase

14015533

Analogs

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Popular Name: [2-[[(1S)-1-cyano-1,2-dimethyl-propyl]amino]-2-oxo-ethyl] [2-[[(1S)-1-cyano-1,2-dimethyl-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)	0.50	4.78	-45.76	1	9	0	131	380.426	6	↓ MOL2 SDF SMILES Flexibase

14241366

Analogs

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Popular Name: N-[(9-chloro-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]-2,2-dioxo-3,4-dihydropyrido[6,1-c][1,2,4] N-[(9-chloro-3,4-dihydro-2H-1,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.72	4.49	-25.69	1	8	0	99	423.878	3	↓ MOL2 SDF SMILES Flexibase

16594037

Analogs

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Popular Name: 3-[[(2,2-dioxo3,4-dihydropyrido[6,1-c][1,2,4]thiadiazine-7-carbonyl)amino]carbamoyl]-N,N-dimethyl-be 3-[[(2,2-dioxo3,4-dihydropyrido[…

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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)	-0.18	0.67	-32.95	2	11	0	147	453.502	5	↓ MOL2 SDF SMILES Flexibase

66871736

Analogs

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Popular Name: [(1S)-1-cyclohexylethyl] [(1S)-1-cyclohexylethyl]

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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)	3.03	7.32	-19.76	0	6	0	78	338.429	4	↓ MOL2 SDF SMILES Flexibase

66871740

Analogs

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Popular Name: [(1R)-1-cyclohexylethyl] [(1R)-1-cyclohexylethyl]

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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)	3.03	7.33	-19.7	0	6	0	78	338.429	4	↓ MOL2 SDF SMILES Flexibase

66886800

Analogs

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Popular Name: [(1S)-1-(3-fluorophenyl)ethyl] [(1S)-1-(3-fluorophenyl)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)	2.15	7.61	-28.06	0	6	0	78	350.371	4	↓ MOL2 SDF SMILES Flexibase

66886801

Analogs

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Popular Name: [(1R)-1-(3-fluorophenyl)ethyl] [(1R)-1-(3-fluorophenyl)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)	2.15	7.61	-27.73	0	6	0	78	350.371	4	↓ MOL2 SDF SMILES Flexibase

55431558

Analogs

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Popular Name: 2,2-dioxo-N-(4-propylcyclohexyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide 2,2-dioxo-N-(4-propylcyclohexyl)…

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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)	2.66	6.13	-21.46	1	6	0	81	351.472	4	↓ MOL2 SDF SMILES Flexibase

55431843

Analogs

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Popular Name: (6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-(2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazin-7-y (6,8-difluoro-3,4-dihydro-2H-qui…

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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)	2.42	6.35	-25.43	0	6	0	72	379.388	1	↓ MOL2 SDF SMILES Flexibase

65549508

Analogs

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Popular Name: 2,2-dioxo-N-phenethyl-N-phenyl-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide 2,2-dioxo-N-phenethyl-N-phenyl-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)	3.49	9.19	-22.38	0	6	0	72	407.495	5	↓ MOL2 SDF SMILES Flexibase

69728402

Analogs

15658222

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Popular Name: N-[(1R)-1-methylpropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide N-[(1R)-1-methylpropyl]-2,2-diox…

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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)	0.95	2.78	-21.98	1	6	0	81	283.353	3	↓ MOL2 SDF SMILES Flexibase

69728403

Analogs

15658222

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Popular Name: N-[(1S)-1-methylpropyl]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide N-[(1S)-1-methylpropyl]-2,2-diox…

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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)	0.95	2.78	-22.01	1	6	0	81	283.353	3	↓ MOL2 SDF SMILES Flexibase

69728803

Analogs

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Popular Name: N-ethyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide N-ethyl-2,2-dioxo-3,4-dihydropyr…

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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)	0.12	1	-22.29	1	6	0	81	255.299	2	↓ MOL2 SDF SMILES Flexibase

69728906

Analogs

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Popular Name: N-[(Z)-(3-methyl-1,3-benzothiazol-2-ylidene)amino]-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiaz N-[(Z)-(3-methyl-1,3-benzothiazo…

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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)	2.75	5.84	-25.83	1	8	0	98	389.462	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	-1.92	5.96	-50.54	2	8	1	96	390.47	3	↓ MOL2 SDF SMILES Flexibase

69729216

Analogs

9917312

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Popular Name: N-methyl-N-(o-tolylmethyl)-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide N-methyl-N-(o-tolylmethyl)-2,2-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)	1.31	6.88	-23.67	0	6	0	72	345.424	3	↓ MOL2 SDF SMILES Flexibase

69729367

Analogs

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Popular Name: N-methyl-2,2-dioxo-N-(2-thienylmethyl)-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxamide N-methyl-2,2-dioxo-N-(2-thienylm…

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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)	0.81	5.12	-25.01	0	6	0	72	337.426	3	↓ MOL2 SDF SMILES Flexibase

69729421

Analogs

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Popular Name: N-[(2-fluorophenyl)methyl]-N-methyl-2,2-dioxo-3,4-dihydropyrido[2,1-c][1,2,4]thiadiazine-7-carboxami N-[(2-fluorophenyl)methyl]-N-met…

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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)	1.03	6.01	-27.14	0	6	0	72	349.387	3	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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