ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

2782099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-phenylacetamide 2-{[4-(2-furyl)-6-(trifluorometh…

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)	4.46	1.1	-11.05	1	5	0	68	379.363	6	↓ MOL2 SDF SMILES Flexibase

2785042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[[4-(2-furyl)pyrimidin-2-yl]thio]acetamide N-(3-chloro-4-fluoro-phenyl)-2-[…

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)	3.88	-0.41	-13.78	1	5	0	68	363.801	5	↓ MOL2 SDF SMILES Flexibase

2789715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-furyl)pyrimidin-2-yl]thio]-N-(2,3,5,6-tetrafluorophenyl)acetamide 2-[[4-(2-furyl)pyrimidin-2-yl]th…

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)	3.54	2.07	-14.42	1	5	0	68	383.326	5	↓ MOL2 SDF SMILES Flexibase

2789772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-furyl)pyrimidin-2-yl]thio]-N-(2,3,4,5,6-pentafluorophenyl)acetamide 2-[[4-(2-furyl)pyrimidin-2-yl]th…

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)	3.64	2.8	-13.38	1	5	0	68	401.316	5	↓ MOL2 SDF SMILES Flexibase

2789888

Analogs

172384

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-bromo-2-fluoro-phenyl)-2-[[4-(2-furyl)pyrimidin-2-yl]thio]acetamide N-(4-bromo-2-fluoro-phenyl)-2-[[…

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)	4.01	7.71	-11.49	1	5	0	68	408.252	5	↓ MOL2 SDF SMILES Flexibase

2790116

Analogs

172383

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,6-dichlorophenyl)-2-[[4-(2-furyl)pyrimidin-2-yl]thio]acetamide N-(2,6-dichlorophenyl)-2-[[4-(2-…

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)	4.37	-0.87	-14.34	1	5	0	68	380.256	5	↓ MOL2 SDF SMILES Flexibase

2790290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-furyl)pyrimidin-2-yl]thio]-N-(3-nitrophenyl)acetamide 2-[[4-(2-furyl)pyrimidin-2-yl]th…

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)	3.04	-0.47	-22.82	1	8	0	113	356.363	6	↓ MOL2 SDF SMILES Flexibase

2791073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)phenyl]-2-[[4-(2-furyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)phenyl]-2-…

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)	3.72	0.01	-16.29	1	6	0	77	377.372	7	↓ MOL2 SDF SMILES Flexibase

2791176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(difluoromethoxy)phenyl]-2-[[4-(2-furyl)pyrimidin-2-yl]thio]acetamide N-[2-(difluoromethoxy)phenyl]-2-…

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)	3.67	0.15	-15.35	1	6	0	77	377.372	7	↓ MOL2 SDF SMILES Flexibase

2791211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-3-methoxy-phenyl]-2-[[4-(2-furyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)-3-methoxy…

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)	3.31	0.34	-19.16	1	7	0	86	407.398	8	↓ MOL2 SDF SMILES Flexibase

2792294

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-3-ethoxy-phenyl]-2-[[4-(2-furyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)-3-ethoxy-…

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)	3.69	7.38	-18.84	1	7	0	86	421.425	9	↓ MOL2 SDF SMILES Flexibase

2792389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-[[4-(2-furyl)pyrimidin-2-yl]thio]acetamide N-(5-chloro-2-methyl-phenyl)-2-[…

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)	4.16	-0.58	-15.5	1	5	0	68	359.838	5	↓ MOL2 SDF SMILES Flexibase

2793125

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(difluoromethoxy)-2-methyl-phenyl]-2-[[4-(2-furyl)pyrimidin-2-yl]thio]acetamide N-[4-(difluoromethoxy)-2-methyl-…

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)	4.10	0.57	-17.96	1	6	0	77	391.399	7	↓ MOL2 SDF SMILES Flexibase

2798804

Analogs

901757

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]acetamide N-(3-chlorophenyl)-2-[[4-(2-fury…

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)	5.11	0.95	-9.95	1	5	0	68	413.808	6	↓ MOL2 SDF SMILES Flexibase

2798819

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-[4-(trifluoromethyl)phenyl]acetamide 2-{[4-(2-furyl)-6-(trifluorometh…

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)	5.35	3.26	-11.38	1	5	0	68	447.36	7	↓ MOL2 SDF SMILES Flexibase

2798935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-chloro-3-(trifluoromethyl)phenyl]-2-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide N-[4-chloro-3-(trifluoromethyl)p…

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)	5.96	3.04	-10.64	1	5	0	68	481.805	7	↓ MOL2 SDF SMILES Flexibase

2799085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}-N-[3-(trifluoromethyl)phenyl]acetamide 2-{[4-(2-furyl)-6-(trifluorometh…

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)	5.33	3.28	-10.3	1	5	0	68	447.36	7	↓ MOL2 SDF SMILES Flexibase

2799592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-ethylphenyl)-2-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide N-(3-ethylphenyl)-2-{[4-(2-furyl…

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)	5.35	1.58	-10.64	1	5	0	68	407.417	7	↓ MOL2 SDF SMILES Flexibase

2799777

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methylphenyl)-2-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide N-(3-chloro-4-methylphenyl)-2-{[…

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)	5.51	1.27	-12.35	1	5	0	68	427.835	6	↓ MOL2 SDF SMILES Flexibase

2799890

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-{[4-(2-furyl)-6-(trifluoromethyl)-2-pyrimidinyl]sulfanyl}acetamide N-[2-chloro-5-(trifluoromethyl)p…

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)	5.96	3.3	-10.24	1	5	0	68	481.805	7	↓ MOL2 SDF SMILES Flexibase

2805438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-furyl)pyrimidin-2-yl]thio]-N-(2-methoxyphenyl)acetamide 2-[[4-(2-furyl)pyrimidin-2-yl]th…

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)	3.11	6.33	-14.02	1	6	0	77	341.392	6	↓ MOL2 SDF SMILES Flexibase

2805517

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dimethylphenyl)-2-[[4-(2-furyl)pyrimidin-2-yl]thio]acetamide N-(2,3-dimethylphenyl)-2-[[4-(2-…

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)	3.91	-0.21	-14.39	1	5	0	68	339.42	5	↓ MOL2 SDF SMILES Flexibase

2805528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-furyl)pyrimidin-2-yl]thio]-N-p-phenetyl-acetamide 2-[[4-(2-furyl)pyrimidin-2-yl]th…

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)	3.54	-0.96	-15.78	1	6	0	77	355.419	7	↓ MOL2 SDF SMILES Flexibase

2805529

Analogs

2789652
2790231

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-(2-furyl)pyrimidin-2-yl]thio]-N-(o-tolyl)acetamide 2-[[4-(2-furyl)pyrimidin-2-yl]th…

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)	3.51	-0.43	-14.24	1	5	0	68	325.393	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 234191
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 = 234191 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=234191&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": "234191"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations