ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

52859409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(5-chloro-2-fluoro-phenyl)thieno[2,3-d]pyrimidine 4-chloro-2-(5-chloro-2-fluoro-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)	4.98	8.27	-8.1	0	2	0	26	299.157	1	↓ MOL2 SDF SMILES Flexibase

52859464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-2-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-amine 2-(5-chloro-2-fluoro-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)	3.79	6.69	-10.68	2	3	0	52	279.727	1	↓ MOL2 SDF SMILES Flexibase

52859466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-2-fluoro-phenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine 2-(5-chloro-2-fluoro-phenyl)-5,6…

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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	8.26	-10	2	3	0	52	307.781	1	↓ MOL2 SDF SMILES Flexibase

52859467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(5-chloro-2-fluoro-phenyl)-N-methyl-thieno[2,3-d]pyrimidin-4-amine 2-(5-chloro-2-fluoro-phenyl)-N-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)	4.16	7.85	-10.76	1	3	0	38	293.754	2	↓ MOL2 SDF SMILES Flexibase

52859468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(5-chloro-2-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine [2-(5-chloro-2-fluoro-phenyl)thi…

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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)	3.55	6.56	-11.29	3	4	0	64	294.742	2	↓ MOL2 SDF SMILES Flexibase

52903235

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(2-chloro-6-fluoro-phenyl)thieno[2,3-d]pyrimidine 4-chloro-2-(2-chloro-6-fluoro-ph…

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Activity (Go SEA)

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)	4.96	8.7	-10.3	0	2	0	26	299.157	1	↓ MOL2 SDF SMILES Flexibase

52903549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-6-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-amine 2-(2-chloro-6-fluoro-phenyl)thie…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.77	7.12	-12.51	2	3	0	52	279.727	1	↓ MOL2 SDF SMILES Flexibase

52903555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-6-fluoro-phenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine 2-(2-chloro-6-fluoro-phenyl)-5,6…

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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)	4.36	8.68	-12.69	2	3	0	52	307.781	1	↓ MOL2 SDF SMILES Flexibase

52903558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-6-fluoro-phenyl)-N-methyl-thieno[2,3-d]pyrimidin-4-amine 2-(2-chloro-6-fluoro-phenyl)-N-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)	4.14	8.28	-12.15	1	3	0	38	293.754	2	↓ MOL2 SDF SMILES Flexibase

52903560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-chloro-6-fluoro-phenyl)-N-ethyl-thieno[2,3-d]pyrimidin-4-amine 2-(2-chloro-6-fluoro-phenyl)-N-e…

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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)	4.52	9.11	-11.7	1	3	0	38	307.781	3	↓ MOL2 SDF SMILES Flexibase

52903572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-chloro-6-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine [2-(2-chloro-6-fluoro-phenyl)thi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.52	6.99	-13.19	3	4	0	64	294.742	2	↓ MOL2 SDF SMILES Flexibase

52903578

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(2-chloro-6-fluoro-phenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-yl]hydrazine [2-(2-chloro-6-fluoro-phenyl)-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)	4.12	8.5	-12.66	3	4	0	64	322.796	2	↓ MOL2 SDF SMILES Flexibase

19995394

Analogs

43387327
43391603

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5,6-dimethyl-2-(o-tolyl)thieno[2,3-d]pyrimidine 4-chloro-5,6-dimethyl-2-(o-tolyl…

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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)	5.21	9.99	-7.28	0	2	0	26	288.803	1	↓ MOL2 SDF SMILES Flexibase

20005403

Analogs

43387327
43391603

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-5,6-dimethyl-2-(p-tolyl)thieno[2,3-d]pyrimidine 4-chloro-5,6-dimethyl-2-(p-tolyl…

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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	9.44	-7.45	0	2	0	26	288.803	1	↓ MOL2 SDF SMILES Flexibase

62606378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(3-chloro-2-fluoro-phenyl)thieno[2,3-d]pyrimidine 4-chloro-2-(3-chloro-2-fluoro-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)	4.96	8.26	-9.71	0	2	0	26	299.157	1	↓ MOL2 SDF SMILES Flexibase

62606559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-2-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-amine 2-(3-chloro-2-fluoro-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)	3.77	6.69	-10.87	2	3	0	52	279.727	1	↓ MOL2 SDF SMILES Flexibase

62606562

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-2-fluoro-phenyl)-N-methyl-thieno[2,3-d]pyrimidin-4-amine 2-(3-chloro-2-fluoro-phenyl)-N-m…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.14	7.84	-13.01	1	3	0	38	293.754	2	↓ MOL2 SDF SMILES Flexibase

62606566

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-chloro-2-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine [2-(3-chloro-2-fluoro-phenyl)thi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.52	6.55	-11.58	3	4	0	64	294.742	2	↓ MOL2 SDF SMILES Flexibase

69051728

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-6-ethyl-2-phenyl-thieno[2,3-d]pyrimidine 4-chloro-6-ethyl-2-phenyl-thieno…

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Activity (Go SEA)

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)	5.01	9.1	-6.64	0	2	0	26	274.776	2	↓ MOL2 SDF SMILES Flexibase

62785104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(4-chloro-2-fluoro-phenyl)thieno[2,3-d]pyrimidine 4-chloro-2-(4-chloro-2-fluoro-ph…

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Activity (Go SEA)

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)	4.98	8.28	-7.36	0	2	0	26	299.157	1	↓ MOL2 SDF SMILES Flexibase

62786695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-amine 2-(4-chloro-2-fluoro-phenyl)thie…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.71	-8.88	2	3	0	52	279.727	1	↓ MOL2 SDF SMILES Flexibase

62786697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-fluoro-phenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine 2-(4-chloro-2-fluoro-phenyl)-5,6…

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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	8.27	-8.83	2	3	0	52	307.781	1	↓ MOL2 SDF SMILES Flexibase

62786698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2-fluoro-phenyl)-N-methyl-thieno[2,3-d]pyrimidin-4-amine 2-(4-chloro-2-fluoro-phenyl)-N-m…

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Activity (Go SEA)

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	7.86	-10.49	1	3	0	38	293.754	2	↓ MOL2 SDF SMILES Flexibase

62786699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(4-chloro-2-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine [2-(4-chloro-2-fluoro-phenyl)thi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.55	6.57	-9.61	3	4	0	64	294.742	2	↓ MOL2 SDF SMILES Flexibase

62790641

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-2-(3-chloro-4-fluoro-phenyl)thieno[2,3-d]pyrimidine 4-chloro-2-(3-chloro-4-fluoro-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)	4.98	8.07	-6.2	0	2	0	26	299.157	1	↓ MOL2 SDF SMILES Flexibase

62793226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-4-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-amine 2-(3-chloro-4-fluoro-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)	3.79	6.48	-8.07	2	3	0	52	279.727	1	↓ MOL2 SDF SMILES Flexibase

62793230

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-4-fluoro-phenyl)-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-amine 2-(3-chloro-4-fluoro-phenyl)-5,6…

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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	8.05	-7.97	2	3	0	52	307.781	1	↓ MOL2 SDF SMILES Flexibase

62793231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-chloro-4-fluoro-phenyl)-N-methyl-thieno[2,3-d]pyrimidin-4-amine 2-(3-chloro-4-fluoro-phenyl)-N-m…

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Activity (Go SEA)

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	7.64	-8.88	1	3	0	38	293.754	2	↓ MOL2 SDF SMILES Flexibase

62793328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [2-(3-chloro-4-fluoro-phenyl)thieno[2,3-d]pyrimidin-4-yl]hydrazine [2-(3-chloro-4-fluoro-phenyl)thi…

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Activity (Go SEA)

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)	3.55	6.35	-8.78	3	4	0	64	294.742	2	↓ MOL2 SDF SMILES Flexibase

70191943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5,6-dimethyl-2-phenyl-N-propyl-thieno[2,3-d]pyrimidin-4-amine 5,6-dimethyl-2-phenyl-N-propyl-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)	4.87	10.27	-9.84	1	3	0	38	297.427	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 28855
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 = 28855 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', {
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