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21530008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[3-(trifluoromethyl)phe 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	2.40	8.68	-18.76	1	6	0	70	449.454	5	↓ MOL2 SDF SMILES Flexibase

21530010

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[3-(trifluoromethyl)phe 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	2.40	8.72	-23.51	1	6	0	70	449.454	5	↓ MOL2 SDF SMILES Flexibase

21530012

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-cycloheptyl-benzamide 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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	7.92	-19.08	1	6	0	70	401.532	4	↓ MOL2 SDF SMILES Flexibase

21530013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-cycloheptyl-benzamide 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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	7.88	-19.36	1	6	0	70	401.532	4	↓ MOL2 SDF SMILES Flexibase

21530015

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)	2.05	9.23	-28.36	1	8	0	96	453.52	7	↓ MOL2 SDF SMILES Flexibase

21530017

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)	2.05	9.27	-28.6	1	8	0	96	453.52	7	↓ MOL2 SDF SMILES Flexibase

21530023

Analogs

4146322
4146323

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2-furylmethyl)benzamid 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	0.49	5.96	-18.46	1	7	0	83	385.445	5	↓ MOL2 SDF SMILES Flexibase

21530025

Analogs

4146322
4146323

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2-furylmethyl)benzamid 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	0.49	5.9	-18.76	1	7	0	83	385.445	5	↓ MOL2 SDF SMILES Flexibase

21530027

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(1,3-benzodioxol-5-ylme 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.12	6.48	-20.27	1	8	0	88	439.493	5	↓ MOL2 SDF SMILES Flexibase

21530029

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(1,3-benzodioxol-5-ylme 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.12	6.44	-20.84	1	8	0	88	439.493	5	↓ MOL2 SDF SMILES Flexibase

21530031

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2,4-dimethylphenyl)ben 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	2.35	9.12	-17.56	1	6	0	70	409.511	4	↓ MOL2 SDF SMILES Flexibase

21530033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2,4-dimethylphenyl)ben 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	2.35	9.19	-20.49	1	6	0	70	409.511	4	↓ MOL2 SDF SMILES Flexibase

21530035

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-isopropyl-benzamide 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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	5.59	-19.69	1	6	0	70	347.44	4	↓ MOL2 SDF SMILES Flexibase

21530037

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-isopropyl-benzamide 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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	5.63	-15.68	1	6	0	70	347.44	4	↓ MOL2 SDF SMILES Flexibase

21530039

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-propyl-benzamide 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	0.71	5.53	-19.56	1	6	0	70	347.44	5	↓ MOL2 SDF SMILES Flexibase

21530041

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-propyl-benzamide 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	0.71	5.57	-15.65	1	6	0	70	347.44	5	↓ MOL2 SDF SMILES Flexibase

21530043

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2-diethylaminoethyl)be 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	0.61	7.61	-52.03	2	7	1	74	405.544	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.61	5.4	-19.92	1	7	0	73	404.536	8	↓ MOL2 SDF SMILES Flexibase

21530045

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2-diethylaminoethyl)be 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	0.61	7.65	-48.99	2	7	1	74	405.544	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.61	5.44	-15.88	1	7	0	73	404.536	8	↓ MOL2 SDF SMILES Flexibase

21530047

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(1R)-1-phenylethyl]ben 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.79	8.62	-19.26	1	6	0	70	409.511	5	↓ MOL2 SDF SMILES Flexibase

21530049

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(1S)-1-phenylethyl]ben 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.79	8.62	-19.46	1	6	0	70	409.511	5	↓ MOL2 SDF SMILES Flexibase

21530051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(1R)-1-phenylethyl]ben 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.79	8.67	-19.16	1	6	0	70	409.511	5	↓ MOL2 SDF SMILES Flexibase

21530053

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(1S)-1-phenylethyl]ben 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.79	8.67	-19.04	1	6	0	70	409.511	5	↓ MOL2 SDF SMILES Flexibase

21530055

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(3,4-dimethylphenyl)ben 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	2.35	9.01	-18.05	1	6	0	70	409.511	4	↓ MOL2 SDF SMILES Flexibase

21530057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(3,4-dimethylphenyl)ben 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	2.35	9.06	-20.49	1	6	0	70	409.511	4	↓ MOL2 SDF SMILES Flexibase

21530059

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-isopentyl-benzamide 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.48	6.82	-19.35	1	6	0	70	375.494	6	↓ MOL2 SDF SMILES Flexibase

21530060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-isopentyl-benzamide 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.48	6.86	-15.49	1	6	0	70	375.494	6	↓ MOL2 SDF SMILES Flexibase

21530062

Analogs

3936936

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(m-tolylmethyl)benzamid 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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	8.44	-18.8	1	6	0	70	409.511	5	↓ MOL2 SDF SMILES Flexibase

21530063

Analogs

3936936

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(m-tolylmethyl)benzamid 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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	8.48	-17.84	1	6	0	70	409.511	5	↓ MOL2 SDF SMILES Flexibase

21530065

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-phenethyl-benzamide 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.63	8.6	-21.16	1	6	0	70	409.511	6	↓ MOL2 SDF SMILES Flexibase

21530067

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-phenethyl-benzamide 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.63	8.55	-21.29	1	6	0	70	409.511	6	↓ MOL2 SDF SMILES Flexibase

21530069

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2,4,6-trimethylphenyl) 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.79	9.77	-19.97	1	6	0	70	423.538	4	↓ MOL2 SDF SMILES Flexibase

21530070

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2,4,6-trimethylphenyl) 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.79	9.78	-19.73	1	6	0	70	423.538	4	↓ MOL2 SDF SMILES Flexibase

21530072

Analogs

6669045
6669046

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2-methoxyethyl)benzami 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	-0.19	3.83	-19.72	1	7	0	79	363.439	6	↓ MOL2 SDF SMILES Flexibase

21530074

Analogs

6669045
6669046

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2-methoxyethyl)benzami 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	-0.19	3.87	-15.92	1	7	0	79	363.439	6	↓ MOL2 SDF SMILES Flexibase

21530076

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(3-methoxyphenyl)methy 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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	7.09	-20.32	1	7	0	79	425.51	6	↓ MOL2 SDF SMILES Flexibase

21530078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(3-methoxyphenyl)methy 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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	7.13	-19.17	1	7	0	79	425.51	6	↓ MOL2 SDF SMILES Flexibase

21530080

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(4-methylcyclohexyl)ben 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.51	8.06	-19.76	1	6	0	70	401.532	4	↓ MOL2 SDF SMILES Flexibase

21530082

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(4-methylcyclohexyl)ben 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.51	8.12	-19.45	1	6	0	70	401.532	4	↓ MOL2 SDF SMILES Flexibase

21530084

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(2R)-2-phenylpropyl]be 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	2.43	9.16	-21.32	1	6	0	70	423.538	6	↓ MOL2 SDF SMILES Flexibase

21530086

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(2S)-2-phenylpropyl]be 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	2.43	9.16	-20.84	1	6	0	70	423.538	6	↓ MOL2 SDF SMILES Flexibase

21530087

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(2R)-2-phenylpropyl]be 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	2.43	9.2	-20.72	1	6	0	70	423.538	6	↓ MOL2 SDF SMILES Flexibase

21530089

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[(2S)-2-phenylpropyl]be 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	2.43	9.21	-20.71	1	6	0	70	423.538	6	↓ MOL2 SDF SMILES Flexibase

21530091

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2-thienylmethyl)benzam 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.13	6.93	-17.6	1	6	0	70	401.513	5	↓ MOL2 SDF SMILES Flexibase

21530092

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-(2-thienylmethyl)benzam 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	1.13	6.9	-18.5	1	6	0	70	401.513	5	↓ MOL2 SDF SMILES Flexibase

21530098

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-cyclohexyl-benzamide 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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	7.51	-19.48	1	6	0	70	387.505	4	↓ MOL2 SDF SMILES Flexibase

21530100

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-cyclohexyl-benzamide 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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	7.45	-19.77	1	6	0	70	387.505	4	↓ MOL2 SDF SMILES Flexibase

21530102

Analogs

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-methyl-benzamide 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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)	-0.17	3.92	-20.26	1	6	0	70	319.386	3	↓ MOL2 SDF SMILES Flexibase

21530103

Analogs

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Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-methyl-benzamide 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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)	-0.17	3.96	-16.31	1	6	0	70	319.386	3	↓ MOL2 SDF SMILES Flexibase

21530105

Analogs

3936936

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Popular Name: 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[3-(4-ethylpiperazin-1- 4-[[(8aS)-5,8-dioxo-1,3,6,8a-tet…

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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	7.05	-52.57	2	8	1	77	460.624	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.40	4.74	-20.02	1	8	0	76	459.616	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.40	7.05	-56.95	2	8	1	77	460.624	8	↓ MOL2 SDF SMILES Flexibase

21530107

Analogs

3936936

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tetrahydrothiazolo[4,3-c]pyrazin-7-yl]methyl]-N-[3-(4-ethylpiperazin-1- 4-[[(8aR)-5,8-dioxo-1,3,6,8a-tet…

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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	7.09	-48.58	2	8	1	77	460.624	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.40	4.78	-16.19	1	8	0	76	459.616	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	0.40	7.09	-53.3	2	8	1	77	460.624	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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