ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

11998897

Analogs

12002338
12002342
12002344
55408524
56998219

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-4-(4-chlorophenyl)-1-cyclohexyl-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-e]pyrazin-3-o (4aS,7aR)-4-(4-chlorophenyl)-1-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)	3.07	-3.96	-65	1	5	1	59	383.921	2	↓ MOL2 SDF SMILES Flexibase

12002338

Analogs

12002342
12002344
55408524
56998219
56998222

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-4-(4-chlorophenyl)-1-cyclohexyl-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-e]pyrazin-3-o (4aR,7aR)-4-(4-chlorophenyl)-1-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)	3.07	-4.19	-62.12	1	5	1	59	383.921	2	↓ MOL2 SDF SMILES Flexibase

12002342

Analogs

12002344
55408524
56998219
56998222
56998223

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aS)-4-(4-chlorophenyl)-1-cyclohexyl-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-e]pyrazin-3-o (4aS,7aS)-4-(4-chlorophenyl)-1-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)	3.07	-4.19	-62.89	1	5	1	59	383.921	2	↓ MOL2 SDF SMILES Flexibase

12002344

Analogs

55408524
56998219
56998222
56998223
11998897

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aS)-4-(4-chlorophenyl)-1-cyclohexyl-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4-e]pyrazin-3-o (4aR,7aS)-4-(4-chlorophenyl)-1-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)	3.07	-3.95	-65.07	1	5	1	59	383.921	2	↓ MOL2 SDF SMILES Flexibase

57738222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-1-benzyl-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aR,7aR)-1-benzyl-6,6-dioxo-4-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)	1.89	4.95	-16.78	0	5	0	58	356.447	3	↓ MOL2 SDF SMILES Flexibase

57738227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-1-benzyl-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aS,7aR)-1-benzyl-6,6-dioxo-4-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)	1.89	4.79	-19.34	0	5	0	58	356.447	3	↓ MOL2 SDF SMILES Flexibase

57738234

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-6,6-dioxo-4-phenyl-1-propyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aR,7aR)-6,6-dioxo-4-phenyl-1-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)	1.37	2.75	-15.03	0	5	0	58	308.403	3	↓ MOL2 SDF SMILES Flexibase

57738245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-1-isobutyl-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aR,7aR)-1-isobutyl-6,6-dioxo-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)	1.61	3.7	-14.92	0	5	0	58	322.43	3	↓ MOL2 SDF SMILES Flexibase

57738250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-1-isobutyl-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aS,7aR)-1-isobutyl-6,6-dioxo-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)	1.61	3.63	-17.24	0	5	0	58	322.43	3	↓ MOL2 SDF SMILES Flexibase

57738253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-1-cyclopentyl-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aS,7aR)-1-cyclopentyl-6,6-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)	1.89	3.78	-16.53	0	5	0	58	334.441	2	↓ MOL2 SDF SMILES Flexibase

57738257

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-1-cyclopentyl-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aR,7aR)-1-cyclopentyl-6,6-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)	1.89	3.55	-15.09	0	5	0	58	334.441	2	↓ MOL2 SDF SMILES Flexibase

57738265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aS)-1-cyclopentyl-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aS,7aS)-1-cyclopentyl-6,6-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)	1.89	3.55	-14.78	0	5	0	58	334.441	2	↓ MOL2 SDF SMILES Flexibase

57738271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aS)-1-cyclopentyl-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aR,7aS)-1-cyclopentyl-6,6-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)	1.89	3.76	-16.5	0	5	0	58	334.441	2	↓ MOL2 SDF SMILES Flexibase

57738276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-1-[(4-chlorophenyl)methyl]-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin (4aS,7aR)-1-[(4-chlorophenyl)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)	2.56	5.27	-20.84	0	5	0	58	390.892	3	↓ MOL2 SDF SMILES Flexibase

57738280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-6,6-dioxo-4-phenyl-1-[2-(2-thienyl)ethyl]-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-o (4aS,7aR)-6,6-dioxo-4-phenyl-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)	2.19	4.72	-18.96	0	5	0	58	376.503	4	↓ MOL2 SDF SMILES Flexibase

57738287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-6,6-dioxo-4-phenyl-1-(3-pyridylmethyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin-3-one (4aS,7aR)-6,6-dioxo-4-phenyl-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)	0.65	2.92	-22.72	0	6	0	71	357.435	3	↓ MOL2 SDF SMILES Flexibase

57738295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aR)-1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno (4aS,7aR)-1-[(4-chlorophenyl)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)	3.39	6.5	-20.92	0	5	0	58	418.946	3	↓ MOL2 SDF SMILES Flexibase

57738304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno (4aR,7aR)-1-[(4-chlorophenyl)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)	3.39	6.69	-18.58	0	5	0	58	418.946	3	↓ MOL2 SDF SMILES Flexibase

57738307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aS,7aS)-1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno (4aS,7aS)-1-[(4-chlorophenyl)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)	3.39	6.68	-18.48	0	5	0	58	418.946	3	↓ MOL2 SDF SMILES Flexibase

57738316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aS)-1-[(4-chlorophenyl)methyl]-4-(3,4-dimethylphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno (4aR,7aS)-1-[(4-chlorophenyl)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)	3.39	6.49	-20.95	0	5	0	58	418.946	3	↓ MOL2 SDF SMILES Flexibase

57738321

Analogs

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Popular Name: (4aS,7aR)-4-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno (4aS,7aR)-4-(3,4-dimethylphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	6.04	-21.92	0	5	0	58	402.491	3	↓ MOL2 SDF SMILES Flexibase

57738324

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aR)-4-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno (4aR,7aR)-4-(3,4-dimethylphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	6.23	-19.42	0	5	0	58	402.491	3	↓ MOL2 SDF SMILES Flexibase

57738332

Analogs

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Popular Name: (4aS,7aS)-4-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno (4aS,7aS)-4-(3,4-dimethylphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	6.23	-19.32	0	5	0	58	402.491	3	↓ MOL2 SDF SMILES Flexibase

57738335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aS)-4-(3,4-dimethylphenyl)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno (4aR,7aS)-4-(3,4-dimethylphenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	6.03	-21.87	0	5	0	58	402.491	3	↓ MOL2 SDF SMILES Flexibase

57738343

Analogs

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Popular Name: (4aS,7aR)-1-[(4-chlorophenyl)methyl]-6,6-dioxo-4-(p-tolyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyra (4aS,7aR)-1-[(4-chlorophenyl)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)	3.01	5.95	-20.84	0	5	0	58	404.919	3	↓ MOL2 SDF SMILES Flexibase

57738351

Analogs

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Popular Name: (4aR,7aR)-1-[(4-chlorophenyl)methyl]-6,6-dioxo-4-(p-tolyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyra (4aR,7aR)-1-[(4-chlorophenyl)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)	3.01	6.14	-18.38	0	5	0	58	404.919	3	↓ MOL2 SDF SMILES Flexibase

57738358

Analogs

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Popular Name: (4aS,7aS)-1-[(4-chlorophenyl)methyl]-6,6-dioxo-4-(p-tolyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyra (4aS,7aS)-1-[(4-chlorophenyl)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)	3.01	6.14	-18.25	0	5	0	58	404.919	3	↓ MOL2 SDF SMILES Flexibase

57738363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4aR,7aS)-1-[(4-chlorophenyl)methyl]-6,6-dioxo-4-(p-tolyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyra (4aR,7aS)-1-[(4-chlorophenyl)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)	3.01	5.94	-20.86	0	5	0	58	404.919	3	↓ MOL2 SDF SMILES Flexibase

57738369

Analogs

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Popular Name: (4aS,7aR)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4-(p-tolyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyra (4aS,7aR)-1-[(4-fluorophenyl)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)	2.50	5.5	-21.74	0	5	0	58	388.464	3	↓ MOL2 SDF SMILES Flexibase

57738376

Analogs

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Popular Name: (4aR,7aR)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4-(p-tolyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyra (4aR,7aR)-1-[(4-fluorophenyl)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)	2.50	5.69	-19.23	0	5	0	58	388.464	3	↓ MOL2 SDF SMILES Flexibase

57738381

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Popular Name: (4aS,7aS)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4-(p-tolyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyra (4aS,7aS)-1-[(4-fluorophenyl)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)	2.50	5.68	-19.16	0	5	0	58	388.464	3	↓ MOL2 SDF SMILES Flexibase

57738387

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Popular Name: (4aR,7aS)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4-(p-tolyl)-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyra (4aR,7aS)-1-[(4-fluorophenyl)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)	2.50	5.49	-21.79	0	5	0	58	388.464	3	↓ MOL2 SDF SMILES Flexibase

57738392

Analogs

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Popular Name: (4aS,7aR)-1-[(4-chlorophenyl)methyl]-4-(4-ethoxyphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4 (4aS,7aR)-1-[(4-chlorophenyl)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)	3.00	5.49	-22.16	0	6	0	67	434.945	5	↓ MOL2 SDF SMILES Flexibase

57738398

Analogs

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Popular Name: (4aR,7aR)-1-[(4-chlorophenyl)methyl]-4-(4-ethoxyphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4 (4aR,7aR)-1-[(4-chlorophenyl)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)	3.00	5.69	-19.44	0	6	0	67	434.945	5	↓ MOL2 SDF SMILES Flexibase

57738403

Analogs

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Popular Name: (4aS,7aS)-1-[(4-chlorophenyl)methyl]-4-(4-ethoxyphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4 (4aS,7aS)-1-[(4-chlorophenyl)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)	3.00	5.68	-19.21	0	6	0	67	434.945	5	↓ MOL2 SDF SMILES Flexibase

57738412

Analogs

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Popular Name: (4aR,7aS)-1-[(4-chlorophenyl)methyl]-4-(4-ethoxyphenyl)-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4 (4aR,7aS)-1-[(4-chlorophenyl)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)	3.00	5.49	-22.1	0	6	0	67	434.945	5	↓ MOL2 SDF SMILES Flexibase

57738417

Analogs

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Popular Name: (4aS,7aR)-1-[(2-chlorophenyl)methyl]-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin (4aS,7aR)-1-[(2-chlorophenyl)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)	2.52	4.88	-20.55	0	5	0	58	390.892	3	↓ MOL2 SDF SMILES Flexibase

57738423

Analogs

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Popular Name: (4aR,7aR)-1-[(2-chlorophenyl)methyl]-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin (4aR,7aR)-1-[(2-chlorophenyl)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)	2.52	5.4	-16.02	0	5	0	58	390.892	3	↓ MOL2 SDF SMILES Flexibase

57738425

Analogs

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Popular Name: (4aS,7aS)-1-[(2-chlorophenyl)methyl]-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin (4aS,7aS)-1-[(2-chlorophenyl)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)	2.52	5.41	-16.42	0	5	0	58	390.892	3	↓ MOL2 SDF SMILES Flexibase

57738433

Analogs

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Popular Name: (4aR,7aS)-1-[(2-chlorophenyl)methyl]-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin (4aR,7aS)-1-[(2-chlorophenyl)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)	2.52	5.22	-18.34	0	5	0	58	390.892	3	↓ MOL2 SDF SMILES Flexibase

57738439

Analogs

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Popular Name: (4aS,7aR)-4-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4 (4aS,7aR)-4-(4-ethoxyphenyl)-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)	2.48	5.04	-23.1	0	6	0	67	418.49	5	↓ MOL2 SDF SMILES Flexibase

57738444

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Popular Name: (4aR,7aR)-4-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4 (4aR,7aR)-4-(4-ethoxyphenyl)-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)	2.48	5.24	-20.26	0	6	0	67	418.49	5	↓ MOL2 SDF SMILES Flexibase

57738449

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Popular Name: (4aS,7aS)-4-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4 (4aS,7aS)-4-(4-ethoxyphenyl)-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)	2.48	5.22	-20.1	0	6	0	67	418.49	5	↓ MOL2 SDF SMILES Flexibase

57738454

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Popular Name: (4aR,7aS)-4-(4-ethoxyphenyl)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4a,5,7,7a-tetrahydro-2H-thieno[3,4 (4aR,7aS)-4-(4-ethoxyphenyl)-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)	2.48	5.04	-23.05	0	6	0	67	418.49	5	↓ MOL2 SDF SMILES Flexibase

57738457

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Popular Name: (4aS,7aR)-1-(1,3-benzodioxol-5-ylmethyl)-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyr (4aS,7aR)-1-(1,3-benzodioxol-5-y…

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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)	1.78	3.42	-24.91	0	7	0	76	400.456	3	↓ MOL2 SDF SMILES Flexibase

57738464

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Popular Name: (4aR,7aR)-1-(1,3-benzodioxol-5-ylmethyl)-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyr (4aR,7aR)-1-(1,3-benzodioxol-5-y…

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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)	1.78	3.6	-21.49	0	7	0	76	400.456	3	↓ MOL2 SDF SMILES Flexibase

57738470

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Popular Name: (4aS,7aS)-1-(1,3-benzodioxol-5-ylmethyl)-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyr (4aS,7aS)-1-(1,3-benzodioxol-5-y…

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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)	1.78	3.6	-21.93	0	7	0	76	400.456	3	↓ MOL2 SDF SMILES Flexibase

57738480

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Popular Name: (4aR,7aS)-1-(1,3-benzodioxol-5-ylmethyl)-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyr (4aR,7aS)-1-(1,3-benzodioxol-5-y…

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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)	1.78	3.41	-23.78	0	7	0	76	400.456	3	↓ MOL2 SDF SMILES Flexibase

57738485

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Popular Name: (4aS,7aR)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin (4aS,7aR)-1-[(4-fluorophenyl)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)	2.05	4.82	-21.78	0	5	0	58	374.437	3	↓ MOL2 SDF SMILES Flexibase

57738492

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Popular Name: (4aR,7aR)-1-[(4-fluorophenyl)methyl]-6,6-dioxo-4-phenyl-4a,5,7,7a-tetrahydro-2H-thieno[3,4-b]pyrazin (4aR,7aR)-1-[(4-fluorophenyl)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)	2.05	5.01	-19.23	0	5	0	58	374.437	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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