ZINC 12

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	10.51	-7.59	0	4	0	47	367.518	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.57	12.77	-44.78	1	4	1	49	368.526	2	↓ MOL2 SDF SMILES Flexibase

20237947

Analogs

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Popular Name: (8R)-3-cyclohexyl-6-oxo-8-(p-tolyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (8R)-3-cyclohexyl-6-oxo-8-(p-tol…

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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	10.52	-7.88	0	4	0	47	367.518	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.57	12.7	-45.02	1	4	1	49	368.526	2	↓ MOL2 SDF SMILES Flexibase

20237956

Analogs

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Popular Name: (8S)-3-benzyl-6-oxo-8-(p-tolyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (8S)-3-benzyl-6-oxo-8-(p-tolyl)-…

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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)	4.06	11.23	-9.25	0	4	0	47	375.497	3	↓ MOL2 SDF SMILES Flexibase

20237959

Analogs

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Popular Name: (8R)-3-benzyl-6-oxo-8-(p-tolyl)-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (8R)-3-benzyl-6-oxo-8-(p-tolyl)-…

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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)	4.06	11.32	-9.07	0	4	0	47	375.497	3	↓ MOL2 SDF SMILES Flexibase

20237962

Analogs

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Popular Name: (8S)-3-(2-furylmethyl)-8-(o-tolyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carboni (8S)-3-(2-furylmethyl)-8-(o-toly…

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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)	2.80	9.35	-10.86	0	5	0	60	365.458	3	↓ MOL2 SDF SMILES Flexibase

20237965

Analogs

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Popular Name: (8R)-3-(2-furylmethyl)-8-(o-tolyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carboni (8R)-3-(2-furylmethyl)-8-(o-toly…

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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)	2.80	9.54	-9.91	0	5	0	60	365.458	3	↓ MOL2 SDF SMILES Flexibase

20237968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8S)-3-cyclohexyl-8-(o-tolyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (8S)-3-cyclohexyl-8-(o-tolyl)-6-…

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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	10.33	-7.94	0	4	0	47	367.518	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.05	12.63	-45.65	1	4	1	49	368.526	2	↓ MOL2 SDF SMILES Flexibase

20237970

Analogs

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Popular Name: (8R)-3-cyclohexyl-8-(o-tolyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (8R)-3-cyclohexyl-8-(o-tolyl)-6-…

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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	10.07	-7.42	0	4	0	47	367.518	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.05	12.18	-44.96	1	4	1	49	368.526	2	↓ MOL2 SDF SMILES Flexibase

20237973

Analogs

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Popular Name: (8S)-3-benzyl-8-(o-tolyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (8S)-3-benzyl-8-(o-tolyl)-6-oxo-…

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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	10.72	-9.09	0	4	0	47	375.497	3	↓ MOL2 SDF SMILES Flexibase

20237976

Analogs

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Popular Name: (8R)-3-benzyl-8-(o-tolyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitrile (8R)-3-benzyl-8-(o-tolyl)-6-oxo-…

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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	10.91	-9.11	0	4	0	47	375.497	3	↓ MOL2 SDF SMILES Flexibase

20237979

Analogs

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Popular Name: (8S)-3-cyclohexyl-8-(4-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbo (8S)-3-cyclohexyl-8-(4-fluorophe…

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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)	4.28	9.82	-8.73	0	4	0	47	371.481	2	↓ MOL2 SDF SMILES Flexibase

20237981

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (8R)-3-cyclohexyl-8-(4-fluorophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbo (8R)-3-cyclohexyl-8-(4-fluorophe…

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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)	4.28	9.88	-8.71	0	4	0	47	371.481	2	↓ MOL2 SDF SMILES Flexibase

20237984

Analogs

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Popular Name: (8S)-8-(4-ethoxyphenyl)-3-(2-furylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9- (8S)-8-(4-ethoxyphenyl)-3-(2-fur…

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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)	3.30	8.73	-11.79	0	6	0	70	395.484	5	↓ MOL2 SDF SMILES Flexibase

20237987

Analogs

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Popular Name: (8R)-8-(4-ethoxyphenyl)-3-(2-furylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9- (8R)-8-(4-ethoxyphenyl)-3-(2-fur…

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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)	3.30	8.54	-12.2	0	6	0	70	395.484	5	↓ MOL2 SDF SMILES Flexibase

20237990

Analogs

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Popular Name: (8S)-3-cyclohexyl-8-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbo (8S)-3-cyclohexyl-8-(4-ethoxyphe…

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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)	4.55	10.07	-8.95	0	5	0	57	397.544	4	↓ MOL2 SDF SMILES Flexibase

20237993

Analogs

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Popular Name: (8R)-3-cyclohexyl-8-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbo (8R)-3-cyclohexyl-8-(4-ethoxyphe…

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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)	4.55	10.08	-9.25	0	5	0	57	397.544	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.55	12.25	-47.63	1	5	1	58	398.552	4	↓ MOL2 SDF SMILES Flexibase

20237996

Analogs

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Popular Name: (8S)-3-benzyl-8-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitr (8S)-3-benzyl-8-(4-ethoxyphenyl)…

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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)	4.04	10.56	-10.19	0	5	0	57	405.523	5	↓ MOL2 SDF SMILES Flexibase

20237999

Analogs

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Popular Name: (8R)-3-benzyl-8-(4-ethoxyphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitr (8R)-3-benzyl-8-(4-ethoxyphenyl)…

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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)	4.04	10.09	-10.44	0	5	0	57	405.523	5	↓ MOL2 SDF SMILES Flexibase

20238002

Analogs

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Popular Name: (8S)-8-(4-ethylphenyl)-3-(2-furylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-c (8S)-8-(4-ethylphenyl)-3-(2-fury…

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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	9.94	-10.26	0	5	0	60	379.485	4	↓ MOL2 SDF SMILES Flexibase

20238004

Analogs

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Popular Name: (8R)-8-(4-ethylphenyl)-3-(2-furylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-c (8R)-8-(4-ethylphenyl)-3-(2-fury…

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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	10.11	-10.59	0	5	0	60	379.485	4	↓ MOL2 SDF SMILES Flexibase

20238007

Analogs

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Popular Name: (8S)-3-cyclohexyl-8-(4-ethylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbon (8S)-3-cyclohexyl-8-(4-ethylphen…

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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)	5.03	11.19	-7.73	0	4	0	47	381.545	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.03	13.46	-45.33	1	4	1	49	382.553	3	↓ MOL2 SDF SMILES Flexibase

20238010

Analogs

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Popular Name: (8R)-3-cyclohexyl-8-(4-ethylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbon (8R)-3-cyclohexyl-8-(4-ethylphen…

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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)	5.03	11.28	-7.77	0	4	0	47	381.545	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.03	13.46	-44.92	1	4	1	49	382.553	3	↓ MOL2 SDF SMILES Flexibase

20238013

Analogs

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Popular Name: (8S)-3-benzyl-8-(4-ethylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitri (8S)-3-benzyl-8-(4-ethylphenyl)-…

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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)	4.53	11.77	-8.72	0	4	0	47	389.524	4	↓ MOL2 SDF SMILES Flexibase

20238017

Analogs

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Popular Name: (8R)-3-benzyl-8-(4-ethylphenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbonitri (8R)-3-benzyl-8-(4-ethylphenyl)-…

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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)	4.53	12.09	-8.85	0	4	0	47	389.524	4	↓ MOL2 SDF SMILES Flexibase

20238020

Analogs

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Popular Name: (8R)-8-(2-chlorophenyl)-3-cyclohexyl-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbo (8R)-8-(2-chlorophenyl)-3-cycloh…

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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)	4.28	10.21	-7.56	0	4	0	47	387.936	2	↓ MOL2 SDF SMILES Flexibase

20238023

Analogs

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Popular Name: (8S)-8-(2-chlorophenyl)-3-cyclohexyl-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-carbo (8S)-8-(2-chlorophenyl)-3-cycloh…

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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)	4.28	9.65	-7.2	0	4	0	47	387.936	2	↓ MOL2 SDF SMILES Flexibase

20238026

Analogs

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Popular Name: (8S)-3-(2-furylmethyl)-8-(4-hydroxy-3-methoxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]th (8S)-3-(2-furylmethyl)-8-(4-hydr…

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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)	2.21	5.46	-15.35	1	7	0	90	397.456	4	↓ MOL2 SDF SMILES Flexibase

20238029

Analogs

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Popular Name: (8R)-3-(2-furylmethyl)-8-(4-hydroxy-3-methoxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]th (8R)-3-(2-furylmethyl)-8-(4-hydr…

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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)	2.21	5.98	-15.85	1	7	0	90	397.456	4	↓ MOL2 SDF SMILES Flexibase

20238032

Analogs

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Popular Name: (8S)-3-cyclohexyl-8-(4-hydroxy-3-methoxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadia (8S)-3-cyclohexyl-8-(4-hydroxy-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)	3.46	6.85	-13.72	1	6	0	77	399.516	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.46	9.12	-53.77	2	6	1	78	400.524	3	↓ MOL2 SDF SMILES Flexibase

20238035

Analogs

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Popular Name: (8R)-3-cyclohexyl-8-(4-hydroxy-3-methoxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadia (8R)-3-cyclohexyl-8-(4-hydroxy-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)	3.46	6.58	-13.6	1	6	0	77	399.516	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.46	8.69	-52.23	2	6	1	78	400.524	3	↓ MOL2 SDF SMILES Flexibase

20238038

Analogs

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Popular Name: (8S)-3-benzyl-8-(4-hydroxy-3-methoxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine (8S)-3-benzyl-8-(4-hydroxy-3-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)	2.95	7.62	-15.21	1	6	0	77	407.495	4	↓ MOL2 SDF SMILES Flexibase

20238041

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Popular Name: (8R)-3-benzyl-8-(4-hydroxy-3-methoxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine (8R)-3-benzyl-8-(4-hydroxy-3-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)	2.95	7.68	-14.91	1	6	0	77	407.495	4	↓ MOL2 SDF SMILES Flexibase

20238044

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Popular Name: (8S)-8-(3-ethoxy-4-hydroxy-phenyl)-3-(2-furylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thi (8S)-8-(3-ethoxy-4-hydroxy-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)	2.58	6.42	-15.19	1	7	0	90	411.483	5	↓ MOL2 SDF SMILES Flexibase

20238047

Analogs

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Popular Name: (8R)-8-(3-ethoxy-4-hydroxy-phenyl)-3-(2-furylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thi (8R)-8-(3-ethoxy-4-hydroxy-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)	2.58	6.88	-15.76	1	7	0	90	411.483	5	↓ MOL2 SDF SMILES Flexibase

20238054

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Popular Name: (8S)-3-benzyl-8-(3-ethoxy-4-hydroxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine- (8S)-3-benzyl-8-(3-ethoxy-4-hydr…

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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)	3.33	8.57	-15.13	1	6	0	77	421.522	5	↓ MOL2 SDF SMILES Flexibase

20238057

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Popular Name: (8R)-3-benzyl-8-(3-ethoxy-4-hydroxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine- (8R)-3-benzyl-8-(3-ethoxy-4-hydr…

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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)	3.33	8.59	-14.78	1	6	0	77	421.522	5	↓ MOL2 SDF SMILES Flexibase

20238060

Analogs

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Popular Name: (8S)-8-(4-ethoxy-3-methoxy-phenyl)-3-(2-furylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thi (8S)-8-(4-ethoxy-3-methoxy-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)	2.89	8.48	-13.36	0	7	0	79	425.51	6	↓ MOL2 SDF SMILES Flexibase

20238063

Analogs

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Popular Name: (8R)-8-(4-ethoxy-3-methoxy-phenyl)-3-(2-furylmethyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thi (8R)-8-(4-ethoxy-3-methoxy-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)	2.89	8.42	-14.69	0	7	0	79	425.51	6	↓ MOL2 SDF SMILES Flexibase

20238066

Analogs

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Popular Name: (8S)-3-cyclohexyl-8-(4-ethoxy-3-methoxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiaz (8S)-3-cyclohexyl-8-(4-ethoxy-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)	4.14	9.95	-11.56	0	6	0	66	427.57	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.14	12.2	-51.46	1	6	1	67	428.578	5	↓ MOL2 SDF SMILES Flexibase

20238069

Analogs

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Popular Name: (8R)-3-cyclohexyl-8-(4-ethoxy-3-methoxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiaz (8R)-3-cyclohexyl-8-(4-ethoxy-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)	4.14	9.61	-11.57	0	6	0	66	427.57	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.14	11.71	-50.61	1	6	1	67	428.578	5	↓ MOL2 SDF SMILES Flexibase

20238071

Analogs

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Popular Name: (8S)-8-(4-ethoxy-3-methoxy-phenyl)-3-methyl-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine- (8S)-8-(4-ethoxy-3-methoxy-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)	2.24	6.95	-12.34	0	6	0	66	359.451	4	↓ MOL2 SDF SMILES Flexibase

20238074

Analogs

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Popular Name: (8R)-8-(4-ethoxy-3-methoxy-phenyl)-3-methyl-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine- (8R)-8-(4-ethoxy-3-methoxy-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)	2.24	7.02	-12.35	0	6	0	66	359.451	4	↓ MOL2 SDF SMILES Flexibase

20238076

Analogs

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Popular Name: (8S)-3-benzyl-8-(4-ethoxy-3-methoxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine- (8S)-3-benzyl-8-(4-ethoxy-3-meth…

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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	10.64	-12.93	0	6	0	66	435.549	6	↓ MOL2 SDF SMILES Flexibase

20238079

Analogs

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Popular Name: (8R)-3-benzyl-8-(4-ethoxy-3-methoxy-phenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine- (8R)-3-benzyl-8-(4-ethoxy-3-meth…

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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	10.7	-12.72	0	6	0	66	435.549	6	↓ MOL2 SDF SMILES Flexibase

20238082

Analogs

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Popular Name: (8S)-3-(2-furylmethyl)-8-(3-nitrophenyl)-6-oxo-2,4,7,8-tetrahydropyrido[2,1-b][1,3,5]thiadiazine-9-c (8S)-3-(2-furylmethyl)-8-(3-nitr…

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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)	2.80	9.16	-14.99	0	8	0	106	396.428	4	↓ MOL2 SDF SMILES Flexibase

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