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

49389661

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N,N-dimethyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	0.21	5.53	-20.44	0	7	0	62	305.334	3	↓ MOL2 SDF SMILES Flexibase

49389665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N,N-diethyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.41	7.43	-19.61	0	7	0	62	333.388	5	↓ MOL2 SDF SMILES Flexibase

49389669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N,N-dipropyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	2.41	8.95	-19.13	0	7	0	62	361.442	7	↓ MOL2 SDF SMILES Flexibase

49389670

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N,N-diisopropyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	2.00	7.91	-17.1	0	7	0	62	361.442	5	↓ MOL2 SDF SMILES Flexibase

49389674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(2-hydroxyethyl)-N-methyl-acetami 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	0.02	3.74	-23.4	1	8	0	83	335.36	5	↓ MOL2 SDF SMILES Flexibase

49389868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(2-hydroxyethyl)-N-isopropyl-acet 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	0.70	4.59	-21.92	1	8	0	83	363.414	6	↓ MOL2 SDF SMILES Flexibase

49389872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-methyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	0.91	3.59	-20.38	1	7	0	71	291.307	3	↓ MOL2 SDF SMILES Flexibase

49389876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-ethyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.29	4.43	-19.9	1	7	0	71	305.334	4	↓ MOL2 SDF SMILES Flexibase

49389881

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-propyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.79	5.2	-19.84	1	7	0	71	319.361	5	↓ MOL2 SDF SMILES Flexibase

49389883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]acetamide N-butyl-2-[3-(2,3-dihydro-1,4-be…

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)	2.35	5.97	-19.75	1	7	0	71	333.388	6	↓ MOL2 SDF SMILES Flexibase

49389887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-isopropyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.59	5.24	-19.97	1	7	0	71	319.361	4	↓ MOL2 SDF SMILES Flexibase

49389891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-isobutyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	2.03	5.94	-19.62	1	7	0	71	333.388	5	↓ MOL2 SDF SMILES Flexibase

49389895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[(1R)-1-methylpropyl]acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	2.12	6.21	-19.68	1	7	0	71	333.388	5	↓ MOL2 SDF SMILES Flexibase

49389899

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[(1S)-1-methylpropyl]acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	2.12	6.21	-19.65	1	7	0	71	333.388	5	↓ MOL2 SDF SMILES Flexibase

49389903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-tert-butyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]acetamide N-tert-butyl-2-[3-(2,3-dihydro-1…

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)	2.10	5.73	-18.94	1	7	0	71	333.388	4	↓ MOL2 SDF SMILES Flexibase

49389907

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]acetamide N-allyl-2-[3-(2,3-dihydro-1,4-be…

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)	1.56	4.99	-19.68	1	7	0	71	317.345	5	↓ MOL2 SDF SMILES Flexibase

49389911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-isopentyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	2.57	6.48	-19.7	1	7	0	71	347.415	6	↓ MOL2 SDF SMILES Flexibase

49389915

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(2-methoxyethyl)acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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	3.51	-20.93	1	8	0	80	335.36	6	↓ MOL2 SDF SMILES Flexibase

49389919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(3-methoxypropyl)acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.17	4.26	-20.3	1	8	0	80	349.387	7	↓ MOL2 SDF SMILES Flexibase

49389924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(3-isopropoxypropyl)acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.91	5.97	-20.14	1	8	0	80	377.441	8	↓ MOL2 SDF SMILES Flexibase

49389929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(2-hydroxyethyl)acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	0.28	1.1	-20.79	2	8	0	91	321.333	5	↓ MOL2 SDF SMILES Flexibase

49389933

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(3-hydroxypropyl)acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	0.55	1.85	-21.03	2	8	0	91	335.36	6	↓ MOL2 SDF SMILES Flexibase

49389937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[(2S)-2-hydroxypropyl]acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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	1.87	-21.9	2	8	0	91	335.36	5	↓ MOL2 SDF SMILES Flexibase

49389940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[(2R)-2-hydroxypropyl]acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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	1.94	-20.34	2	8	0	91	335.36	5	↓ MOL2 SDF SMILES Flexibase

49389944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[(1S)-1-(hydroxymethyl)propyl]ace 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.15	2.65	-18.67	2	8	0	91	349.387	6	↓ MOL2 SDF SMILES Flexibase

49389948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[(1R)-1-(hydroxymethyl)propyl]ace 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.15	2.65	-19.99	2	8	0	91	349.387	6	↓ MOL2 SDF SMILES Flexibase

49389952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[(1S)-2-methoxy-1-methyl-ethyl]ac 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.23	4.45	-18.48	1	8	0	80	349.387	6	↓ MOL2 SDF SMILES Flexibase

49389956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[(1R)-2-methoxy-1-methyl-ethyl]ac 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.23	4.45	-19.68	1	8	0	80	349.387	6	↓ MOL2 SDF SMILES Flexibase

49389960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(2-hydroxy-1,1-dimethyl-ethyl)ace 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.09	2.52	-21.48	2	8	0	91	349.387	5	↓ MOL2 SDF SMILES Flexibase

49389964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[2-(2-hydroxyethoxy)ethyl]acetami 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	0.17	1.37	-22.44	2	9	0	101	365.386	8	↓ MOL2 SDF SMILES Flexibase

49389967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[2-hydroxy-1-(hydroxymethyl)-1-me 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	0.08	-0.68	-20.73	3	9	0	112	365.386	6	↓ MOL2 SDF SMILES Flexibase

49389972

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(3-ethoxypropyl)acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.54	5.22	-20.28	1	8	0	80	363.414	8	↓ MOL2 SDF SMILES Flexibase

49389976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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)	1.15	5.47	-19.17	1	9	0	97	363.37	7	↓ MOL2 SDF SMILES Flexibase

49389980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(2,2-dimethoxyethyl)acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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	3.51	-19.75	1	9	0	90	365.386	7	↓ MOL2 SDF SMILES Flexibase

49389984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,2-diethoxyethyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]acetamide N-(2,2-diethoxyethyl)-2-[3-(2,3-…

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)	1.61	5.4	-19.39	1	9	0	90	393.44	9	↓ MOL2 SDF SMILES Flexibase

49389988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(2-dimethylaminoethyl)acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	0.94	5.71	-52.88	2	8	1	76	349.411	6	↓ MOL2 SDF SMILES Flexibase

49389991

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-diethylaminoethyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]acetamide N-(2-diethylaminoethyl)-2-[3-(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)	1.69	7.08	-51.03	2	8	1	76	377.465	8	↓ MOL2 SDF SMILES Flexibase

49389995

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-[3-(dimethylamino)propyl]acetamid 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.21	6.5	-53.68	2	8	1	76	363.438	7	↓ MOL2 SDF SMILES Flexibase

49390000

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-(diethylamino)propyl]-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]acetamide N-[3-(diethylamino)propyl]-2-[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)	1.97	7.87	-51.78	2	8	1	76	391.492	9	↓ MOL2 SDF SMILES Flexibase

49390004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-4-(diethylamino)-1-methyl-butyl]-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin- N-[(1R)-4-(diethylamino)-1-methy…

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)	2.57	9.66	-55.53	2	8	1	76	419.546	10	↓ MOL2 SDF SMILES Flexibase

49390008

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-4-(diethylamino)-1-methyl-butyl]-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin- N-[(1S)-4-(diethylamino)-1-methy…

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)	2.57	9.65	-48.89	2	8	1	76	419.546	10	↓ MOL2 SDF SMILES Flexibase

49390189

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-pentyl-acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	2.86	6.75	-19.78	1	7	0	71	347.415	7	↓ MOL2 SDF SMILES Flexibase

49390658

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	0.04	2.11	-20.17	2	7	0	85	277.28	3	↓ MOL2 SDF SMILES Flexibase

49390911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide 2-[3-(2,3-dihydro-1,4-benzodioxi…

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)	1.84	4.89	-18.59	1	7	0	71	359.304	5	↓ MOL2 SDF SMILES Flexibase

49391005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-2-oxo-ethyl)-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]acetamide N-(2-amino-2-oxo-ethyl)-2-[3-(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)	-0.36	0.61	-21.38	3	9	0	114	334.332	5	↓ MOL2 SDF SMILES Flexibase

49391009

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diallyl-2-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-oxo-imidazolidin-1-yl]acetamide N,N-diallyl-2-[3-(2,3-dihydro-1,…

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)	1.95	8.58	-18.71	0	7	0	62	357.41	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 560217
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 = 560217 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=560217&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": "560217"        

    });
</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