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ZINC Item

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12854469

Analogs

12854472

Draw Identity 99% 90% 80% 70%

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)	3.36	6.52	-12.43	1	8	0	104	417.487	8	↓ MOL2 SDF SMILES Flexibase

12854472

Analogs

12854469

Draw Identity 99% 90% 80% 70%

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)	3.36	7.31	-11.25	1	8	0	104	417.487	8	↓ MOL2 SDF SMILES Flexibase

13681151

Analogs

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Popular Name: 6-ethyl-5-methyl-3-phenacyl-thieno[4,5-e]triazin-4-one 6-ethyl-5-methyl-3-phenacyl-thie…

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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)	2.99	7.56	-13.61	0	5	0	65	313.382	4	↓ MOL2 SDF SMILES Flexibase

1784861

Analogs

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Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.32	-2.43	-15.38	2	6	0	90	286.316	3	↓ MOL2 SDF SMILES Flexibase

1784862

Analogs

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Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)-N-phenyl-acetamide 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.39	7.67	-15.97	1	6	0	77	362.414	4	↓ MOL2 SDF SMILES Flexibase

1784863

Analogs

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Popular Name: N-benzyl-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-benzyl-2-(4-keto-6-phenyl-thie…

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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)	3.09	-1.3	-14.38	1	6	0	76	376.441	5	↓ MOL2 SDF SMILES Flexibase

1784865

Analogs

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Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)-N-(p-tolyl)acetamide 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	-0.17	-16.03	1	6	0	76	376.441	4	↓ MOL2 SDF SMILES Flexibase

1784866

Analogs

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Popular Name: N-(4-ethylphenyl)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-(4-ethylphenyl)-2-(4-keto-6-ph…

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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)	4.31	-0.02	-15.82	1	6	0	76	390.468	5	↓ MOL2 SDF SMILES Flexibase

1784867

Analogs

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Popular Name: N-(4-chloro-2-methyl-phenyl)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-(4-chloro-2-methyl-phenyl)-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)	4.45	9.07	-15.57	1	6	0	77	410.886	4	↓ MOL2 SDF SMILES Flexibase

1784868

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-(2,3-dimethylphenyl)-2-(4-keto…

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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)	4.19	0.27	-16.41	1	6	0	76	390.468	4	↓ MOL2 SDF SMILES Flexibase

1784869

Analogs

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Popular Name: N-(2-chlorophenyl)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-(2-chlorophenyl)-2-(4-keto-6-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)	4.02	-0.48	-13.83	1	6	0	76	396.859	4	↓ MOL2 SDF SMILES Flexibase

1784870

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)-N-o-phenetyl-acetamide 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	8.02	-15.16	1	7	0	86	406.467	6	↓ MOL2 SDF SMILES Flexibase

1784871

Analogs

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Popular Name: N-(2,6-diethylphenyl)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-(2,6-diethylphenyl)-2-(4-keto-…

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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)	4.19	10.74	-15.14	1	6	0	77	418.522	6	↓ MOL2 SDF SMILES Flexibase

1784872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)-N-o-cumenyl-acetamide 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.38	0.61	-15.34	1	6	0	76	404.495	5	↓ MOL2 SDF SMILES Flexibase

1784873

Analogs

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Popular Name: N-(4-butylphenyl)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-(4-butylphenyl)-2-(4-keto-6-ph…

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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)	5.26	0.23	-15.63	1	6	0	76	418.522	7	↓ MOL2 SDF SMILES Flexibase

1784875

Analogs

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Popular Name: N-(2,6-diisopropylphenyl)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-(2,6-diisopropylphenyl)-2-(4-k…

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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)	4.44	1.51	-14.68	1	6	0	76	446.576	6	↓ MOL2 SDF SMILES Flexibase

1784878

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)-N-(2-methoxyphenyl)acetamide 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.40	-0.36	-15.53	1	7	0	86	392.44	5	↓ MOL2 SDF SMILES Flexibase

1784879

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-(3-chloro-4-fluoro-phenyl)-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)	4.16	8.24	-17.95	1	6	0	77	414.849	4	↓ MOL2 SDF SMILES Flexibase

1784880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)-N-(o-tolyl)acetamide 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.79	0.04	-16.2	1	6	0	76	376.441	4	↓ MOL2 SDF SMILES Flexibase

1784882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N,N-diethyl-2-(4-keto-6-phenyl-t…

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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)	2.69	7.76	-14.9	0	6	0	68	342.424	5	↓ MOL2 SDF SMILES Flexibase

1784883

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-(2,5-dimethylphenyl)-2-(4-keto…

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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)	4.22	0.37	-16.36	1	6	0	76	390.468	4	↓ MOL2 SDF SMILES Flexibase

1784885

Analogs

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Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)-N-p-phenetyl-acetamide 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	-0.47	-17.27	1	7	0	86	406.467	6	↓ MOL2 SDF SMILES Flexibase

1784886

Analogs

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Popular Name: N-(5-chloro-2-methyl-phenyl)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetamide N-(5-chloro-2-methyl-phenyl)-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)	4.45	-0.1	-17.46	1	6	0	76	410.886	4	↓ MOL2 SDF SMILES Flexibase

1785035

Analogs

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Popular Name: (2S)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)butyric-acid-methyl-ester (2S)-2-(4-keto-6-phenyl-thieno[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	8	-10.2	0	6	0	74	329.381	5	↓ MOL2 SDF SMILES Flexibase

1785037

Analogs

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Popular Name: (2R)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)butyric-acid-methyl-ester (2R)-2-(4-keto-6-phenyl-thieno[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	8	-10.18	0	6	0	74	329.381	5	↓ MOL2 SDF SMILES Flexibase

1785039

Analogs

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Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetic-acid-butyl-ester 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.89	8.92	-11.32	0	6	0	74	343.408	7	↓ MOL2 SDF SMILES Flexibase

1785041

Analogs

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Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetic-acid-propyl-ester 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.33	1.66	-11.49	0	6	0	74	329.381	6	↓ MOL2 SDF SMILES Flexibase

1785043

Analogs

31944418
31944419
31944423

Draw Identity 99% 90% 80% 70%

Popular Name: 6-phenyl-3-propyl-thieno[2,3-d]triazin-4-one 6-phenyl-3-propyl-thieno[2,3-d]t…

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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)	3.47	0.63	-7.02	0	4	0	47	271.345	3	↓ MOL2 SDF SMILES Flexibase

1785045

Analogs

31944419
31944423

Draw Identity 99% 90% 80% 70%

Popular Name: 3-butyl-6-phenyl-thieno[2,3-d]triazin-4-one 3-butyl-6-phenyl-thieno[2,3-d]tr…

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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)	4.03	0.75	-7.04	0	4	0	47	285.372	4	↓ MOL2 SDF SMILES Flexibase

1785047

Analogs

31944419
31944423

Draw Identity 99% 90% 80% 70%

Popular Name: 3-hexyl-6-phenyl-thieno[2,3-d]triazin-4-one 3-hexyl-6-phenyl-thieno[2,3-d]tr…

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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)	5.04	9.26	-6.93	0	4	0	48	313.426	6	↓ MOL2 SDF SMILES Flexibase

1785050

Analogs

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Popular Name: 3-(4-chlorobenzyl)-6-phenyl-thieno[2,3-d]triazin-4-one 3-(4-chlorobenzyl)-6-phenyl-thie…

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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)	4.86	0.56	-7.23	0	4	0	47	353.834	3	↓ MOL2 SDF SMILES Flexibase

1785052

Analogs

31944418
31944419
31944423

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethyl-6-phenyl-thieno[2,3-d]triazin-4-one 3-ethyl-6-phenyl-thieno[2,3-d]tr…

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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)	2.97	0.57	-7.31	0	4	0	47	257.318	2	↓ MOL2 SDF SMILES Flexibase

1785053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-6-phenyl-thieno[2,3-d]triazin-4-one 3-methyl-6-phenyl-thieno[2,3-d]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.59	0.36	-7.47	0	4	0	48	243.291	1	↓ MOL2 SDF SMILES Flexibase

1785054

Analogs

31944419
31944423

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amyl-6-phenyl-thieno[2,3-d]triazin-4-one 3-amyl-6-phenyl-thieno[2,3-d]tri…

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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	0.87	-6.91	0	4	0	47	299.399	5	↓ MOL2 SDF SMILES Flexibase

1785055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetic-acid-amyl-ester 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.39	1.91	-11.34	0	6	0	74	357.435	8	↓ MOL2 SDF SMILES Flexibase

1785056

Analogs

1321136

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,6-dichlorobenzyl)-6-phenyl-thieno[2,3-d]triazin-4-one 3-(2,6-dichlorobenzyl)-6-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)	5.45	0.42	-7.56	0	4	0	47	388.279	3	↓ MOL2 SDF SMILES Flexibase

1785059

Analogs

31944419
31944423

Draw Identity 99% 90% 80% 70%

Popular Name: 3-isoamyl-6-phenyl-thieno[2,3-d]triazin-4-one 3-isoamyl-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.24	8.2	-6.75	0	4	0	48	299.399	4	↓ MOL2 SDF SMILES Flexibase

1785060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2,4-dichlorobenzyl)-6-phenyl-thieno[2,3-d]triazin-4-one 3-(2,4-dichlorobenzyl)-6-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)	5.47	0.32	-6.39	0	4	0	47	388.279	3	↓ MOL2 SDF SMILES Flexibase

1785061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3,4-dichlorobenzyl)-6-phenyl-thieno[2,3-d]triazin-4-one 3-(3,4-dichlorobenzyl)-6-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)	5.47	0.43	-8.47	0	4	0	47	388.279	3	↓ MOL2 SDF SMILES Flexibase

1785062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-phenyl-3-(3-phenylpropyl)thieno[2,3-d]triazin-4-one 6-phenyl-3-(3-phenylpropyl)thien…

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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)	4.91	0.96	-8.6	0	4	0	47	347.443	5	↓ MOL2 SDF SMILES Flexibase

1785064

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)acetic-acid-2-methoxyethyl-ester 2-(4-keto-6-phenyl-thieno[2,3-d]…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.25	6.56	-13.29	0	7	0	83	345.38	7	↓ MOL2 SDF SMILES Flexibase

1785065

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1S)-2-keto-1-methyl-propyl]-6-phenyl-thieno[2,3-d]triazin-4-one 3-[(1S)-2-keto-1-methyl-propyl]-…

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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	1.05	-11.84	0	5	0	64	299.355	3	↓ MOL2 SDF SMILES Flexibase

1785067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(1R)-2-keto-1-methyl-propyl]-6-phenyl-thieno[2,3-d]triazin-4-one 3-[(1R)-2-keto-1-methyl-propyl]-…

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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	1.03	-11.84	0	5	0	64	299.355	3	↓ MOL2 SDF SMILES Flexibase

1785069

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(3-bromobenzyl)-6-phenyl-thieno[2,3-d]triazin-4-one 3-(3-bromobenzyl)-6-phenyl-thien…

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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)	4.97	-0.05	-8.44	0	4	0	47	398.285	3	↓ MOL2 SDF SMILES Flexibase

1785071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-phenyl-3-(2,3,6-trichlorobenzyl)thieno[2,3-d]triazin-4-one 6-phenyl-3-(2,3,6-trichlorobenzy…

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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)	6.07	0.29	-7.32	0	4	0	47	422.724	3	↓ MOL2 SDF SMILES Flexibase

1785072

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)propionic-acid-cyclohexyl-ester (2S)-2-(4-keto-6-phenyl-thieno[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)	4.72	1.43	-10.08	0	6	0	74	383.473	5	↓ MOL2 SDF SMILES Flexibase

1785073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)propionic-acid-cyclohexyl-ester (2R)-2-(4-keto-6-phenyl-thieno[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)	4.72	1.43	-10.12	0	6	0	74	383.473	5	↓ MOL2 SDF SMILES Flexibase

1785074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)butyric-acid-ethyl-ester (2S)-2-(4-keto-6-phenyl-thieno[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)	3.69	8.93	-9.92	0	6	0	74	343.408	6	↓ MOL2 SDF SMILES Flexibase

1785075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)butyric-acid-ethyl-ester (2R)-2-(4-keto-6-phenyl-thieno[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)	3.69	8.93	-9.9	0	6	0	74	343.408	6	↓ MOL2 SDF SMILES Flexibase

1785076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-(4-keto-6-phenyl-thieno[2,3-d]triazin-3-yl)propionic-acid-propyl-ester (2R)-2-(4-keto-6-phenyl-thieno[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)	3.69	8.76	-9.89	0	6	0	74	343.408	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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