ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

11813366

Analogs

12451997

Draw Identity 99% 90% 80% 70%

Popular Name: N-isobutyl-4-[2-(4-methoxyphenyl)ethylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide N-isobutyl-4-[2-(4-methoxyphenyl…

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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)	4.07	-2.5	-10.08	2	6	0	76	398.532	8	↓ MOL2 SDF SMILES Flexibase

11841620

Analogs

11997622

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-5-methyl-4-(phenethylamino)thieno[4,5-e]pyrimidine-6-carboxamide N,N-diethyl-5-methyl-4-(phenethy…

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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	-0.57	-10.07	1	5	0	58	368.506	7	↓ MOL2 SDF SMILES Flexibase

11979440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-ethyl-N-(2-hydroxyethyl)-5-methyl-4-(phenethylamino)thieno[4,5-e]pyrimidine-6-carboxamide N-ethyl-N-(2-hydroxyethyl)-5-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)	2.88	-2.93	-13.05	2	6	0	78	384.505	8	↓ MOL2 SDF SMILES Flexibase

11981395

Analogs

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Popular Name: 4-[2-(3-methoxyphenyl)ethylamino]-N,N,5-trimethyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-[2-(3-methoxyphenyl)ethylamino…

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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)	3.17	-1.29	-11.88	1	6	0	67	370.478	6	↓ MOL2 SDF SMILES Flexibase

11982259

Analogs

11999965
12079121
11784277

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[2-(2-methoxyphenyl)ethylamino]-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide N,N-diethyl-4-[2-(2-methoxypheny…

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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	-0.43	-11.15	1	6	0	67	398.532	8	↓ MOL2 SDF SMILES Flexibase

11997622

Analogs

14994438
11841620

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-N,5-dimethyl-4-(phenethylamino)thieno[4,5-e]pyrimidine-6-carboxamide N-isopropyl-N,5-dimethyl-4-(phen…

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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)	3.81	-0.78	-9.73	1	5	0	58	368.506	6	↓ MOL2 SDF SMILES Flexibase

11999965

Analogs

12079121
11982259

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-4-[2-(2-methoxyphenyl)ethylamino]-N,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxamide N-isopropyl-4-[2-(2-methoxypheny…

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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)	3.82	-0.68	-10.84	1	6	0	67	398.532	7	↓ MOL2 SDF SMILES Flexibase

12021222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(2-methoxyphenyl)ethylamino]-N,N,5-trimethyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-[2-(2-methoxyphenyl)ethylamino…

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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)	3.15	-1.24	-11.39	1	6	0	67	370.478	6	↓ MOL2 SDF SMILES Flexibase

12034521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-methoxypropyl)-5-methyl-4-(phenethylamino)thieno[4,5-e]pyrimidine-6-carboxamide N-(3-methoxypropyl)-5-methyl-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)	3.15	-3.7	-9.68	2	6	0	76	384.505	9	↓ MOL2 SDF SMILES Flexibase

12039179

Analogs

12125904

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-4-[2-(3-methoxyphenyl)ethylamino]-N,5-dimethyl-thieno[4,5-e]pyrimidine-6-carboxam N-(2-methoxyethyl)-4-[2-(3-metho…

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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)	3.15	-1.51	-11.32	1	7	0	77	414.531	9	↓ MOL2 SDF SMILES Flexibase

12039788

Analogs

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Popular Name: N-[(1S)-1-carbamoyl-3-methyl-butyl]-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-thieno[4,5-e]pyrimidi N-[(1S)-1-carbamoyl-3-methyl-but…

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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)	3.86	-4.65	-16.7	4	8	0	119	455.584	10	↓ MOL2 SDF SMILES Flexibase

12040159

Analogs

12040163
14989742

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-hydroxy-1-methyl-ethyl]-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-thieno[4,5-e]pyrimidine N-[(1S)-2-hydroxy-1-methyl-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)	2.62	-5.27	-11.73	3	7	0	96	400.504	8	↓ MOL2 SDF SMILES Flexibase

12040163

Analogs

14989742
12040159

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-hydroxy-1-methyl-ethyl]-4-[2-(3-methoxyphenyl)ethylamino]-5-methyl-thieno[4,5-e]pyrimidine N-[(1R)-2-hydroxy-1-methyl-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)	2.62	-5.27	-11.76	3	7	0	96	400.504	8	↓ MOL2 SDF SMILES Flexibase

12212464

Analogs

12212466
12245467
12245468

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2R)-2-hydroxybutyl]-5-methyl-thieno[4,5-e]pyrimidine-6-car 4-[2-(3,4-dimethoxyphenyl)ethyla…

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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)	2.77	-5.14	-13.72	3	8	0	106	444.557	10	↓ MOL2 SDF SMILES Flexibase

12212466

Analogs

12245467
12245468
12212464

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-[(2S)-2-hydroxybutyl]-5-methyl-thieno[4,5-e]pyrimidine-6-car 4-[2-(3,4-dimethoxyphenyl)ethyla…

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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)	2.77	-5.21	-13.82	3	8	0	106	444.557	10	↓ MOL2 SDF SMILES Flexibase

12218943

Analogs

11882190

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(3,4-dimethoxyphenyl)ethylamino]-N-isobutyl-5-methyl-thieno[4,5-e]pyrimidine-6-carboxamide 4-[2-(3,4-dimethoxyphenyl)ethyla…

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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)	3.66	-2.18	-12.82	2	7	0	85	428.558	9	↓ MOL2 SDF SMILES Flexibase

23042876

Analogs

36803811

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4-fluorophenyl)ethyl]thieno[3,2-e]pyrimidin-4-amine N-[2-(4-fluorophenyl)ethyl]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)	3.25	8.5	-11.69	1	3	0	38	273.336	4	↓ MOL2 SDF SMILES Flexibase

58002932

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(4-fluorophenyl)-1-methyl-ethyl]thieno[2,3-d]pyrimidin-4-amine N-[(1S)-2-(4-fluorophenyl)-1-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)	3.58	9.45	-10.73	1	3	0	38	287.363	4	↓ MOL2 SDF SMILES Flexibase

58002934

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-(4-fluorophenyl)-1-methyl-ethyl]thieno[2,3-d]pyrimidin-4-amine N-[(1R)-2-(4-fluorophenyl)-1-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)	3.58	9.46	-10.72	1	3	0	38	287.363	4	↓ MOL2 SDF SMILES Flexibase

52486038

Analogs

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Popular Name: (1R)-1-(4-fluorophenyl)-N,N-dimethyl-N'-thieno[2,3-d]pyrimidin-4-yl-ethane-1,2-diamine (1R)-1-(4-fluorophenyl)-N,N-dime…

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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)	3.05	9.6	-49.8	2	4	1	42	317.413	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.05	7.07	-8.42	1	4	0	41	316.405	5	↓ MOL2 SDF SMILES Flexibase

52486039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-(4-fluorophenyl)-N,N-dimethyl-N'-thieno[2,3-d]pyrimidin-4-yl-ethane-1,2-diamine (1S)-1-(4-fluorophenyl)-N,N-dime…

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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)	3.05	9.61	-50.52	2	4	1	42	317.413	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.05	7.01	-8.01	1	4	0	41	316.405	5	↓ MOL2 SDF SMILES Flexibase

62838532

Analogs

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Popular Name: (1R)-1-phenyl-N'-thieno[2,3-d]pyrimidin-4-yl-ethane-1,2-diamine (1R)-1-phenyl-N'-thieno[2,3-d]py…

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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)	0.39	6.03	-56.63	4	4	1	65	271.369	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.39	5.67	-8.8	3	4	0	64	270.361	4	↓ MOL2 SDF SMILES Flexibase

62838639

Analogs

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Popular Name: (1R)-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenyl-ethane-1,2-diamine (1R)-N'-(6-ethylthieno[2,3-d]pyr…

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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)	1.19	7.63	-56.41	4	4	1	65	299.423	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.19	7.26	-8.21	3	4	0	64	298.415	5	↓ MOL2 SDF SMILES Flexibase

62838640

Analogs

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Popular Name: (1S)-N'-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-1-phenyl-ethane-1,2-diamine (1S)-N'-(6-ethylthieno[2,3-d]pyr…

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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)	1.19	7.63	-56.44	4	4	1	65	299.423	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.19	7.19	-7.33	3	4	0	64	298.415	5	↓ MOL2 SDF SMILES Flexibase

55108798

Analogs

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Popular Name: 2-(2-aminoethyl)-N,5,6-trimethyl-N-phenethyl-thieno[2,3-d]pyrimidin-4-amine 2-(2-aminoethyl)-N,5,6-trimethyl…

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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	9.69	-46.39	3	4	1	57	341.504	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.01	9.3	-8.18	2	4	0	55	340.496	6	↓ MOL2 SDF SMILES Flexibase

55576126

Analogs

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Popular Name: 2-methoxy-5-[2-[(2-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]phenol 2-methoxy-5-[2-[(2-methylthieno[…

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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)	2.51	5.52	-13.06	2	5	0	67	315.398	5	↓ MOL2 SDF SMILES Flexibase

40445378

Analogs

36803811

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]phenol 4-[2-(thieno[2,3-d]pyrimidin-4-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)	2.60	5.59	-10.97	2	4	0	58	271.345	4	↓ MOL2 SDF SMILES Flexibase

49281634

Analogs

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Popular Name: (1S)-1-(3-fluorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol (1S)-1-(3-fluorophenyl)-2-(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)	2.23	5.34	-10.08	2	4	0	58	289.335	4	↓ MOL2 SDF SMILES Flexibase

49281636

Analogs

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Popular Name: (1R)-1-(3-fluorophenyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol (1R)-1-(3-fluorophenyl)-2-(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)	2.23	5.42	-9.97	2	4	0	58	289.335	4	↓ MOL2 SDF SMILES Flexibase

49320664

Analogs

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Popular Name: N-[2-(3-bromo-4-fluoro-phenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine N-[2-(3-bromo-4-fluoro-phenyl)et…

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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)	3.98	9.1	-11.24	1	3	0	38	352.232	4	↓ MOL2 SDF SMILES Flexibase

49321007

Analogs

25445

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-(3-chlorophenyl)-1-methyl-ethyl]thieno[2,3-d]pyrimidin-4-amine N-[(1S)-2-(3-chlorophenyl)-1-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)	4.07	9.9	-10.01	1	3	0	38	303.818	4	↓ MOL2 SDF SMILES Flexibase

49321010

Analogs

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Popular Name: N-[(1R)-2-(3-chlorophenyl)-1-methyl-ethyl]thieno[2,3-d]pyrimidin-4-amine N-[(1R)-2-(3-chlorophenyl)-1-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)	4.07	9.91	-8.95	1	3	0	38	303.818	4	↓ MOL2 SDF SMILES Flexibase

37300587

Analogs

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Popular Name: N-[2-(2,4-dichlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine N-[2-(2,4-dichlorophenyl)ethyl]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)	4.37	9.34	-9.43	1	3	0	38	324.236	4	↓ MOL2 SDF SMILES Flexibase

49390268

Analogs

36803811

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Popular Name: N-[2-(2-chlorophenyl)ethyl]thieno[2,3-d]pyrimidin-4-amine N-[2-(2-chlorophenyl)ethyl]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)	3.71	8.86	-9.12	1	3	0	38	289.791	4	↓ MOL2 SDF SMILES Flexibase

42109960

Analogs

42109962
3360140

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Popular Name: (1S)-1-(p-tolyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol (1S)-1-(p-tolyl)-2-(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)	2.54	5.95	-8.92	2	4	0	58	285.372	4	↓ MOL2 SDF SMILES Flexibase

42109962

Analogs

42109960
3360140

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-(p-tolyl)-2-(thieno[2,3-d]pyrimidin-4-ylamino)ethanol (1R)-1-(p-tolyl)-2-(thieno[2,3-d…

Find On: PubMed — Wikipedia — Google

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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)	2.54	6.03	-8.83	2	4	0	58	285.372	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 31641
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 = 31641 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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": "31641"        

    });
</script>

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