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

52885380

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-methoxy-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(2-amino-4-methoxy-phenyl)-3-(…

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)	0.64	2.62	-18.07	3	7	0	88	292.339	5	↓ MOL2 SDF SMILES Flexibase

52885383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminophenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(2-aminophenyl)-3-(3-methyl-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)	0.61	3.34	-17.26	3	6	0	79	262.313	4	↓ MOL2 SDF SMILES Flexibase

52885385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methyl-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(5-amino-2-methyl-phenyl)-3-(3…

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)	0.63	3.95	-16.98	3	6	0	79	276.34	4	↓ MOL2 SDF SMILES Flexibase

52885386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methyl-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(4-amino-2-methyl-phenyl)-3-(3…

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)	0.63	3.94	-17.15	3	6	0	79	276.34	4	↓ MOL2 SDF SMILES Flexibase

52885388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2,6-dichloro-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(4-amino-2,6-dichloro-phenyl)-…

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)	1.46	4.44	-16.9	3	6	0	79	331.203	4	↓ MOL2 SDF SMILES Flexibase

52885389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-fluoro-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(2-amino-4-fluoro-phenyl)-3-(3…

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)	0.75	3.4	-17.27	3	6	0	79	280.303	4	↓ MOL2 SDF SMILES Flexibase

52885391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methoxy-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(4-amino-2-methoxy-phenyl)-3-(…

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)	0.23	2.45	-17.28	3	7	0	88	292.339	5	↓ MOL2 SDF SMILES Flexibase

52885392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-2-methyl-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(3-amino-2-methyl-phenyl)-3-(3…

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)	1.01	4.05	-17.3	3	6	0	79	276.34	4	↓ MOL2 SDF SMILES Flexibase

52885429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-chloro-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(2-amino-4-chloro-phenyl)-3-(3…

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)	1.26	3.86	-16.72	3	6	0	79	296.758	4	↓ MOL2 SDF SMILES Flexibase

52885441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methoxy-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(5-amino-2-methoxy-phenyl)-3-(…

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)	0.23	2.45	-17.16	3	7	0	88	292.339	5	↓ MOL2 SDF SMILES Flexibase

52885442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-fluoro-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(5-amino-2-fluoro-phenyl)-3-(3…

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)	0.34	3.16	-16.32	3	6	0	79	280.303	4	↓ MOL2 SDF SMILES Flexibase

52885443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(3-amino-4-chloro-phenyl)-3-(3…

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)	1.26	3.64	-16.16	3	6	0	79	296.758	4	↓ MOL2 SDF SMILES Flexibase

52885444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminophenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(3-aminophenyl)-3-(3-methyl-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)	0.22	3.05	-16.87	3	6	0	79	262.313	4	↓ MOL2 SDF SMILES Flexibase

52885449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-chloro-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(2-amino-5-chloro-phenyl)-3-(3…

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)	1.26	3.85	-18.52	3	6	0	79	296.758	4	↓ MOL2 SDF SMILES Flexibase

52885452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(4-aminophenyl)-3-(3-methyl-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)	0.25	3.05	-16.92	3	6	0	79	262.313	4	↓ MOL2 SDF SMILES Flexibase

52885454

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-fluoro-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(3-amino-4-fluoro-phenyl)-3-(3…

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)	0.75	3.14	-16.87	3	6	0	79	280.303	4	↓ MOL2 SDF SMILES Flexibase

52885457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(2-amino-4,6-dichloro-phenyl)-…

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)	1.87	4.58	-15.07	3	6	0	79	331.203	4	↓ MOL2 SDF SMILES Flexibase

52885461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-chloro-phenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(4-amino-2-chloro-phenyl)-3-(3…

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)	0.86	3.68	-15.49	3	6	0	79	296.758	4	↓ MOL2 SDF SMILES Flexibase

52885826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-cyanophenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(2-cyanophenyl)-3-(3-methyl-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)	0.88	5.62	-15.34	1	6	0	76	272.308	4	↓ MOL2 SDF SMILES Flexibase

52885828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-cyanophenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(3-cyanophenyl)-3-(3-methyl-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)	0.90	5.57	-20.18	1	6	0	76	272.308	4	↓ MOL2 SDF SMILES Flexibase

52885830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-cyanophenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(4-cyanophenyl)-3-(3-methyl-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)	0.93	5.58	-18.44	1	6	0	76	272.308	4	↓ MOL2 SDF SMILES Flexibase

52885848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-carbamothioylphenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(2-carbamothioylphenyl)-3-(3-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)	0.92	4.98	-23.8	3	6	0	79	306.391	5	↓ MOL2 SDF SMILES Flexibase

52885852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-carbamothioylphenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(4-carbamothioylphenyl)-3-(3-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)	0.97	4.41	-26.16	3	6	0	79	306.391	5	↓ MOL2 SDF SMILES Flexibase

52885856

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-carbamothioylphenyl)-3-(3-methyl-2-oxo-imidazolidin-1-yl)propanamide N-(3-carbamothioylphenyl)-3-(3-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)	0.95	4.4	-29.73	3	6	0	79	306.391	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 30837
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 = 30837 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=30837&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": "30837"        

    });
</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