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ZINC Item

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21531131

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-(3-chlorophenyl)-2,3-dihydropy…

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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)	3.55	7	-13.86	1	4	0	45	305.79	1	↓ MOL2 SDF SMILES Flexibase

21531133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenyl-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-phenyl-2,3-dihydropyrido[2,3-b…

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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)	2.90	6.47	-12.32	1	4	0	45	271.345	1	↓ MOL2 SDF SMILES Flexibase

21531135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-(4-chlorophenyl)-2,3-dihydropy…

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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	7.04	-14.53	1	4	0	45	305.79	1	↓ MOL2 SDF SMILES Flexibase

21531137

Analogs

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Popular Name: N-(m-tolyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-(m-tolyl)-2,3-dihydropyrido[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)	3.32	7.14	-12.17	1	4	0	45	285.372	1	↓ MOL2 SDF SMILES Flexibase

21531139

Analogs

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Popular Name: N-(4-fluorophenyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-(4-fluorophenyl)-2,3-dihydropy…

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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)	3.06	6.64	-13.12	1	4	0	45	289.335	1	↓ MOL2 SDF SMILES Flexibase

21531141

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-furylmethyl)-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-(2-furylmethyl)-2,3-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)	1.86	4.81	-12.88	1	5	0	58	275.333	2	↓ MOL2 SDF SMILES Flexibase

21531163

Analogs

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Popular Name: N-(1,3-benzodioxol-5-ylmethyl)-4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-4-oxo-butanamide N-(1,3-benzodioxol-5-ylmethyl)-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)	1.14	5.42	-16.79	1	7	0	81	385.445	5	↓ MOL2 SDF SMILES Flexibase

21531165

Analogs

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Popular Name: 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[(2-methoxyphenyl)methyl]-4-oxo-butanamide 4-(2,3-dihydropyrido[2,3-b][1,4]…

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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)	1.26	6.14	-14.74	1	6	0	72	371.462	6	↓ MOL2 SDF SMILES Flexibase

21531167

Analogs

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Popular Name: 4-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-(o-tolylmethyl)-4-oxo-butanamide 4-(2,3-dihydropyrido[2,3-b][1,4]…

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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)	1.65	7.44	-13.49	1	5	0	62	355.463	5	↓ MOL2 SDF SMILES Flexibase

21531169

Analogs

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Popular Name: 1-(2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-4-(4-pyrimidin-2-ylpiperazin-1-yl)butane-1,4-dione 1-(2,3-dihydropyrido[2,3-b][1,4]…

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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)	0.40	7.72	-17.04	0	8	0	83	398.492	4	↓ MOL2 SDF SMILES Flexibase

21531171

Analogs

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Popular Name: 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-4-oxo-N-(2-thienylmethyl)butanamide 4-(6,8-dimethyl-2,3-dihydropyrid…

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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	6.69	-14.06	1	5	0	62	375.519	5	↓ MOL2 SDF SMILES Flexibase

21531172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-4-oxo-N-(p-tolyl)butanamide 4-(6,8-dimethyl-2,3-dihydropyrid…

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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)	2.81	8.15	-15.93	1	5	0	62	369.49	4	↓ MOL2 SDF SMILES Flexibase

21531174

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(6,8-dimethyl-2,3-dihydropyrido[2,3-b][1,4]thiazin-1-yl)-N-[2-(2-furyl)ethyl]-4-oxo-butanamide 4-(6,8-dimethyl-2,3-dihydropyrid…

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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	6.46	-18.08	1	6	0	75	373.478	6	↓ MOL2 SDF SMILES Flexibase

21531176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3-chlorophenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[4-[(3-chlorophenyl)methylcarb…

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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	9.03	-19.06	2	6	0	74	438.94	4	↓ MOL2 SDF SMILES Flexibase

21531177

Analogs

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Popular Name: N-[4-[(2,4-difluorophenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[4-[(2,4-difluorophenyl)carbam…

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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)	4.05	8.72	-17.93	2	6	0	74	426.448	3	↓ MOL2 SDF SMILES Flexibase

21531179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(2-fluorophenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[4-[(2-fluorophenyl)carbamoyl]…

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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	8.68	-18.83	2	6	0	74	408.458	3	↓ MOL2 SDF SMILES Flexibase

21531181

Analogs

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Popular Name: N-[4-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamid N-[4-(1,3-benzodioxol-5-ylmethyl…

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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)	3.38	7.19	-21.51	2	8	0	93	448.504	4	↓ MOL2 SDF SMILES Flexibase

21531183

Analogs

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Popular Name: N-[4-[[(2S)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-car N-[4-[[(2S)-tetrahydrofuran-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)	2.47	5.84	-19.94	2	7	0	84	398.488	4	↓ MOL2 SDF SMILES Flexibase

21531184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[(2R)-tetrahydrofuran-2-yl]methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-car N-[4-[[(2R)-tetrahydrofuran-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)	2.47	5.92	-19.94	2	7	0	84	398.488	4	↓ MOL2 SDF SMILES Flexibase

21531186

Analogs

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Popular Name: N-[4-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[4-[(4-fluorophenyl)methylcarb…

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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	8.59	-19.28	2	6	0	74	422.485	4	↓ MOL2 SDF SMILES Flexibase

21531187

Analogs

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Popular Name: N-[4-[2-(1H-indol-3-yl)ethylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[4-[2-(1H-indol-3-yl)ethylcarb…

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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)	4.05	9.35	-24.76	3	7	0	90	457.559	5	↓ MOL2 SDF SMILES Flexibase

21531189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(3-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[4-[(3-fluorophenyl)methylcarb…

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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	8.59	-19.7	2	6	0	74	422.485	4	↓ MOL2 SDF SMILES Flexibase

21531191

Analogs

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Popular Name: N-[4-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4 N-[4-[[(1R)-1-(2,3-dihydro-1,4-b…

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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)	3.56	8.54	-22.42	2	8	0	93	476.558	4	↓ MOL2 SDF SMILES Flexibase

21531193

Analogs

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Popular Name: N-[4-[[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4 N-[4-[[(1S)-1-(2,3-dihydro-1,4-b…

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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)	3.56	8.54	-22.61	2	8	0	93	476.558	4	↓ MOL2 SDF SMILES Flexibase

21531195

Analogs

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Popular Name: N-[4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxam N-[4-(4-pyrimidin-2-ylpiperazine…

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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)	2.17	9.04	-22.78	1	9	0	95	461.551	3	↓ MOL2 SDF SMILES Flexibase

21531197

Analogs

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Popular Name: N-[3-(2-pyridylmethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-(2-pyridylmethylcarbamoyl)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)	2.30	6.69	-19.19	2	7	0	87	405.483	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.30	7.07	-52.63	3	7	1	88	406.491	4	↓ MOL2 SDF SMILES Flexibase

21531199

Analogs

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Popular Name: N-[3-[(4-methoxyphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(4-methoxyphenyl)carbamoyl…

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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	7.83	-21.34	2	7	0	84	420.494	4	↓ MOL2 SDF SMILES Flexibase

21531201

Analogs

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Popular Name: N-[3-[(3-chlorophenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(3-chlorophenyl)carbamoyl]…

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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)	4.42	9.03	-20.91	2	6	0	74	424.913	3	↓ MOL2 SDF SMILES Flexibase

21531203

Analogs

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Popular Name: N-[3-[(4-chlorophenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(4-chlorophenyl)methylcarb…

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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	9.04	-17.83	2	6	0	74	438.94	4	↓ MOL2 SDF SMILES Flexibase

21531205

Analogs

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Popular Name: N-[3-[(2,3-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(2,3-dimethylphenyl)carbam…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.57	10.03	-19.62	2	6	0	74	418.522	3	↓ MOL2 SDF SMILES Flexibase

21531206

Analogs

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Popular Name: N-[3-[(2-ethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(2-ethylphenyl)carbamoyl]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)	4.63	10.19	-18.5	2	6	0	74	418.522	4	↓ MOL2 SDF SMILES Flexibase

21531208

Analogs

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Popular Name: N-[3-(2-furylmethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-(2-furylmethylcarbamoyl)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)	2.72	6.66	-18.22	2	7	0	87	394.456	4	↓ MOL2 SDF SMILES Flexibase

21531210

Analogs

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Popular Name: N-[3-(1,3-benzodioxol-5-ylmethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamid N-[3-(1,3-benzodioxol-5-ylmethyl…

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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	7.19	-20.5	2	8	0	93	448.504	4	↓ MOL2 SDF SMILES Flexibase

21531212

Analogs

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Popular Name: N-[3-[(2,5-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(2,5-dimethylphenyl)carbam…

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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)	4.59	10.02	-19.52	2	6	0	74	418.522	3	↓ MOL2 SDF SMILES Flexibase

21531214

Analogs

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Popular Name: N-[3-[(2,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(2,4-dimethylphenyl)carbam…

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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)	4.59	9.98	-19.61	2	6	0	74	418.522	3	↓ MOL2 SDF SMILES Flexibase

21531216

Analogs

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Popular Name: N-[3-(3-morpholinopropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-(3-morpholinopropylcarbamoy…

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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	4.9	-20.4	2	8	0	87	441.557	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.22	7.22	-59.84	3	8	1	88	442.565	6	↓ MOL2 SDF SMILES Flexibase

21531218

Analogs

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Popular Name: N-[3-[(3,4-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(3,4-dimethylphenyl)carbam…

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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)	4.59	9.83	-19.73	2	6	0	74	418.522	3	↓ MOL2 SDF SMILES Flexibase

21531220

Analogs

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Popular Name: N-[3-(phenethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-(phenethylcarbamoyl)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)	3.87	9.31	-20.14	2	6	0	74	418.522	5	↓ MOL2 SDF SMILES Flexibase

21531222

Analogs

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Popular Name: N-[3-[(3,5-dimethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(3,5-dimethylphenyl)carbam…

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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)	4.59	9.85	-19.7	2	6	0	74	418.522	3	↓ MOL2 SDF SMILES Flexibase

21531224

Analogs

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Popular Name: N-[3-[(2-ethyl-6-methyl-phenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(2-ethyl-6-methyl-phenyl)c…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.10	10.7	-18.19	2	6	0	74	432.549	4	↓ MOL2 SDF SMILES Flexibase

21531226

Analogs

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Popular Name: N-[3-[(3-methoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(3-methoxyphenyl)methylcar…

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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)	3.50	7.84	-18.97	2	7	0	84	434.521	5	↓ MOL2 SDF SMILES Flexibase

21531227

Analogs

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Popular Name: N-[3-[(4-fluorophenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(4-fluorophenyl)methylcarb…

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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	8.59	-18.41	2	6	0	74	422.485	4	↓ MOL2 SDF SMILES Flexibase

21531230

Analogs

8594474

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(4-isopropylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(4-isopropylphenyl)carbamo…

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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)	5.28	10.46	-19.45	2	6	0	74	432.549	4	↓ MOL2 SDF SMILES Flexibase

21531232

Analogs

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Popular Name: N-[3-[(3-ethylphenyl)carbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(3-ethylphenyl)carbamoyl]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)	4.66	9.95	-19.3	2	6	0	74	418.522	4	↓ MOL2 SDF SMILES Flexibase

21531234

Analogs

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Popular Name: N-[3-(2-thienylmethylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-(2-thienylmethylcarbamoyl)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)	3.37	7.66	-17.35	2	6	0	74	410.524	4	↓ MOL2 SDF SMILES Flexibase

21531236

Analogs

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Popular Name: N-[3-(3-isopropoxypropylcarbamoyl)phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-(3-isopropoxypropylcarbamoy…

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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)	3.06	7.17	-18.95	2	7	0	84	414.531	7	↓ MOL2 SDF SMILES Flexibase

21531238

Analogs

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Popular Name: N-[3-[(2-ethoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(2-ethoxyphenyl)methylcarb…

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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	8.83	-18.77	2	7	0	84	448.548	6	↓ MOL2 SDF SMILES Flexibase

21531240

Analogs

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Popular Name: N-[3-[(3,4-dimethoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxami N-[3-[(3,4-dimethoxyphenyl)methy…

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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)	3.11	7.76	-21.13	2	8	0	93	464.547	6	↓ MOL2 SDF SMILES Flexibase

21531242

Analogs

8602420

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(2,3-dimethoxyphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxami N-[3-[(2,3-dimethoxyphenyl)methy…

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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	7.82	-20	2	8	0	93	464.547	6	↓ MOL2 SDF SMILES Flexibase

21531244

Analogs

8583762
8594481

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Popular Name: N-[3-[(4-ethylphenyl)methylcarbamoyl]phenyl]-2,3-dihydropyrido[2,3-b][1,4]thiazine-1-carboxamide N-[3-[(4-ethylphenyl)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)	4.38	9.96	-17.39	2	6	0	74	432.549	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
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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 = 86352 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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