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ZINC Item

Suppliers, Protomers, & Similar Substances

19993103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5,6-trimethyl-3-(3-phenoxypropyl)thieno[3,2-e]pyrimidin-4-one 2,5,6-trimethyl-3-(3-phenoxyprop…

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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)	3.45	10.01	-15.5	0	4	0	44	328.437	5	↓ MOL2 SDF SMILES Flexibase

19993109

Analogs

31892692

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-[3-(4-methylphenoxy)propyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[3-(4-methylphenoxy)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.40	9.62	-61.88	0	6	-1	84	357.411	6	↓ MOL2 SDF SMILES Flexibase

19993112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-[3-(4-methylphenoxy)propyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxamide 5-methyl-3-[3-(4-methylphenoxy)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.65	6.84	-21.86	2	6	0	87	357.435	6	↓ MOL2 SDF SMILES Flexibase

19993133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5,6-trimethyl-3-[3-(4-methylphenoxy)propyl]thieno[3,2-e]pyrimidin-4-one 2,5,6-trimethyl-3-[3-(4-methylph…

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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)	3.90	10.68	-15.48	0	4	0	44	342.464	5	↓ MOL2 SDF SMILES Flexibase

19993154

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(4-chlorophenoxy)propyl]-2,5,6-trimethyl-thieno[3,2-e]pyrimidin-4-one 3-[3-(4-chlorophenoxy)propyl]-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)	4.13	10.53	-15.33	0	4	0	44	362.882	5	↓ MOL2 SDF SMILES Flexibase

19993160

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 5-methyl-3-[3-(3-methylphenoxy)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	9.62	-62.03	0	6	-1	84	357.411	6	↓ MOL2 SDF SMILES Flexibase

19993166

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-methyl-3-[3-(3-methylphenoxy)propyl]-4-oxo-thieno[5,4-d]pyrimidine-6-carboxamide 5-methyl-3-[3-(3-methylphenoxy)p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	6.84	-22.01	2	6	0	87	357.435	6	↓ MOL2 SDF SMILES Flexibase

19993214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5,6-trimethyl-3-[3-(3-methylphenoxy)propyl]thieno[3,2-e]pyrimidin-4-one 2,5,6-trimethyl-3-[3-(3-methylph…

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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)	3.88	10.67	-15.65	0	4	0	44	342.464	5	↓ MOL2 SDF SMILES Flexibase

19993220

Analogs

31892675
31892692

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(4-ethylphenoxy)propyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[3-(4-ethylphenoxy)propyl]-5-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.87	10.39	-61.61	0	6	-1	84	371.438	7	↓ MOL2 SDF SMILES Flexibase

19993226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(4-ethylphenoxy)propyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxamide 3-[3-(4-ethylphenoxy)propyl]-5-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	7.61	-21.63	2	6	0	87	371.462	7	↓ MOL2 SDF SMILES Flexibase

19993281

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(4-methoxyphenoxy)propyl]-5-methyl-4-oxo-thieno[5,4-d]pyrimidine-6-carboxylic 3-[3-(4-methoxyphenoxy)propyl]-5…

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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	8.31	-63.96	0	7	-1	93	373.41	7	↓ MOL2 SDF SMILES Flexibase

19993333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(4-methoxyphenoxy)propyl]-2,5,6-trimethyl-thieno[3,2-e]pyrimidin-4-one 3-[3-(4-methoxyphenoxy)propyl]-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)	3.51	9.31	-16.69	0	5	0	53	358.463	6	↓ MOL2 SDF SMILES Flexibase

22759280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidi 3-[(2S)-2-hydroxy-3-[2-methoxy-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)	3.14	8.74	-18.95	1	6	0	74	400.5	7	↓ MOL2 SDF SMILES Flexibase

22759285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-hydroxy-3-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidi 3-[(2R)-2-hydroxy-3-[2-methoxy-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)	3.14	9.75	-19.28	1	6	0	74	400.5	7	↓ MOL2 SDF SMILES Flexibase

22759298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2R)-3-(4-fluorophenoxy)-2-hy…

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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)	2.61	7.77	-18.71	1	5	0	64	348.399	5	↓ MOL2 SDF SMILES Flexibase

22759302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(4-fluorophenoxy)-2-hydroxy-propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2S)-3-(4-fluorophenoxy)-2-hy…

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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)	2.61	7.02	-14.68	1	5	0	64	348.399	5	↓ MOL2 SDF SMILES Flexibase

22759306

Analogs

25453691
25453695

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2S)-2-hydroxy-3-(4-methoxyph…

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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	6.24	-15.42	1	6	0	74	360.435	6	↓ MOL2 SDF SMILES Flexibase

22759310

Analogs

25453691
25453695

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2R)-2-hydroxy-3-(4-methoxyph…

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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	7.01	-19.29	1	6	0	74	360.435	6	↓ MOL2 SDF SMILES Flexibase

23043085

Analogs

25060814
25060822
36671579
8286483

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thieno[3,2-e]pyrimidin-4-one 3-[(2S)-2-hydroxy-3-(4-methoxyph…

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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)	1.91	4.65	-17.37	1	6	0	74	332.381	6	↓ MOL2 SDF SMILES Flexibase

23043087

Analogs

25060814
25060822
36671579
8286483

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]thieno[3,2-e]pyrimidin-4-one 3-[(2R)-2-hydroxy-3-(4-methoxyph…

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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)	1.91	5.69	-17.91	1	6	0	74	332.381	6	↓ MOL2 SDF SMILES Flexibase

24988758

Analogs

42756207
42756208

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]-6-ethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2R)-3-(4-bromophenoxy)-2-hyd…

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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)	3.45	8.44	-18.34	1	5	0	64	409.305	6	↓ MOL2 SDF SMILES Flexibase

24988761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]-6-ethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2S)-3-(4-bromophenoxy)-2-hyd…

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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)	3.45	8.49	-18.26	1	5	0	64	409.305	6	↓ MOL2 SDF SMILES Flexibase

24991260

Analogs

42756036
42756037
42756189
42756190
42756209

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-6-ethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2R)-3-(2,6-dimethylphenoxy)-…

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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)	3.44	8.52	-13.41	1	5	0	64	358.463	6	↓ MOL2 SDF SMILES Flexibase

24991263

Analogs

42756036
42756037
42756189
42756190
42756209

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(2,6-dimethylphenoxy)-2-hydroxy-propyl]-6-ethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2S)-3-(2,6-dimethylphenoxy)-…

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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)	3.44	8.53	-13.52	1	5	0	64	358.463	6	↓ MOL2 SDF SMILES Flexibase

24991266

Analogs

42756028
42756029
42756036
42756037
42756211

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]thieno[3,2-e]pyrimidin-4-one 6-ethyl-3-[(2R)-2-hydroxy-3-(2,3…

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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)	3.85	9	-13.49	1	5	0	64	372.49	6	↓ MOL2 SDF SMILES Flexibase

24991270

Analogs

42756028
42756029
42756211
42756212
42756215

Draw Identity 99% 90% 80% 70%

Popular Name: 6-ethyl-3-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]thieno[3,2-e]pyrimidin-4-one 6-ethyl-3-[(2S)-2-hydroxy-3-(2,3…

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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)	3.85	9.02	-13.7	1	5	0	64	372.49	6	↓ MOL2 SDF SMILES Flexibase

24991292

Analogs

25060814
25060822

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(4-bromophenoxy)-2-hydroxy-propyl]thieno[3,2-e]pyrimidin-4-one 3-[(2R)-3-(4-bromophenoxy)-2-hyd…

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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)	2.66	6.94	-16.38	1	5	0	64	381.251	5	↓ MOL2 SDF SMILES Flexibase

24991295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(4-bromophenoxy)-2-hydroxy-propyl]thieno[3,2-e]pyrimidin-4-one 3-[(2S)-3-(4-bromophenoxy)-2-hyd…

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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)	2.66	5.97	-15.75	1	5	0	64	381.251	5	↓ MOL2 SDF SMILES Flexibase

1791516

Analogs

2614621
2614628
31700393

Draw Identity 99% 90% 80% 70%

Popular Name: 4-keto-5-methyl-3-[3-(4-methylphenoxy)propyl]thieno[2,3-d]pyrimidine-6-carboxylic-acid-ethyl-ester 4-keto-5-methyl-3-[3-(4-methylph…

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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	1.61	-17.63	0	6	0	70	386.473	8	↓ MOL2 SDF SMILES Flexibase

14245092

Analogs

14245093
22408765
22408768

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2R)-3-(4-tert-butylphenoxy)-…

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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)	4.15	9.98	-16.62	1	5	0	64	386.517	6	↓ MOL2 SDF SMILES Flexibase

14245093

Analogs

22408765
22408768
14245092

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2S)-3-(4-tert-butylphenoxy)-…

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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)	4.15	9.15	-18.42	1	5	0	64	386.517	6	↓ MOL2 SDF SMILES Flexibase

14245094

Analogs

14245095
29333441
29333446

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2S)-2-hydroxy-3-(2,3,6-trime…

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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)	3.65	8.94	-18.12	1	5	0	64	372.49	5	↓ MOL2 SDF SMILES Flexibase

14245095

Analogs

29333441
29333446
14245094

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Popular Name: 3-[(2R)-2-hydroxy-3-(2,3,6-trimethylphenoxy)propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2R)-2-hydroxy-3-(2,3,6-trime…

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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)	3.65	9.61	-16.33	1	5	0	64	372.49	5	↓ MOL2 SDF SMILES Flexibase

14246805

Analogs

14246806
25153249

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Popular Name: 3-[(2R)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2R)-3-(2,4-dichlorophenoxy)-…

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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)	3.73	8.61	-18.51	1	5	0	64	399.299	5	↓ MOL2 SDF SMILES Flexibase

14246806

Analogs

25153249
14246805

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2S)-3-(2,4-dichlorophenoxy)-2-hydroxy-propyl]-5,6-dimethyl-thieno[3,2-e]pyrimidin-4-one 3-[(2S)-3-(2,4-dichlorophenoxy)-…

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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)	3.73	7.95	-20.34	1	5	0	64	399.299	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 28175
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 28175 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=28175&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "28175"        

    });
</script>

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