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

49543882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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)	1.83	7.47	-25.03	1	8	0	89	415.812	5	↓ MOL2 SDF SMILES Flexibase

49544090

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(2-fluorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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)	1.80	7.43	-25.92	1	8	0	89	415.812	5	↓ MOL2 SDF SMILES Flexibase

49544225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-difluorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl N-[(2,4-difluorophenyl)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)	1.32	6.26	-25.63	1	9	0	98	429.383	6	↓ MOL2 SDF SMILES Flexibase

49544245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(4-fluorophenyl)methyl]-2-[6-…

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	6.24	-25.05	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49544506

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(3-methoxyphenyl)methyl]ace 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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	6.25	-26.53	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49544565

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(3-fluorophenyl)methyl]-2-[6-…

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	6.24	-25.4	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49544678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(2-chlorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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)	2.32	7.82	-24.99	1	8	0	89	432.267	5	↓ MOL2 SDF SMILES Flexibase

49544937

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]acet N-[(4-chlorophenyl)methyl]-2-[6-…

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)	1.85	7.48	-24.82	1	8	0	89	415.812	5	↓ MOL2 SDF SMILES Flexibase

49544951

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-fluorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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)	1.85	7.48	-24.56	1	8	0	89	415.812	5	↓ MOL2 SDF SMILES Flexibase

49545003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-isopropoxyphenyl)methyl] 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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	7.8	-25.86	1	9	0	98	439.447	7	↓ MOL2 SDF SMILES Flexibase

49545559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(2-methoxyphenyl)methyl]ace 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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)	1.18	6.29	-26.69	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49545700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(4-chlorophenyl)methyl]-2-[6-…

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)	1.74	6.69	-24.56	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49545802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chloro-4-fluoro-phenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazo N-[(2-chloro-4-fluoro-phenyl)met…

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	6.65	-24.92	1	9	0	98	445.838	6	↓ MOL2 SDF SMILES Flexibase

49546001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(2-methoxyphenyl)methyl]ace 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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)	1.70	6.75	-26.06	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49546015

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(2-chlorophenyl)methyl]-2-[6-…

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)	1.70	6.58	-25.47	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49546098

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3,5-difluorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl N-[(3,5-difluorophenyl)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)	1.32	6.31	-24.61	1	9	0	98	429.383	6	↓ MOL2 SDF SMILES Flexibase

49546113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(3-chlorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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)	2.34	7.92	-24.52	1	8	0	89	432.267	5	↓ MOL2 SDF SMILES Flexibase

49546212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(2,4-difluorophenyl)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)	1.26	6.98	-24.8	1	8	0	89	399.357	5	↓ MOL2 SDF SMILES Flexibase

49546591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,5-difluorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(2,5-difluorophenyl)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)	1.26	6.98	-24.68	1	8	0	89	399.357	5	↓ MOL2 SDF SMILES Flexibase

49546853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)-N-[(2-fluorophenyl)methyl]acetamide 2-(2,5-dioxo-6-phenyl-7H-imidazo…

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)	1.12	6.91	-25.62	1	8	0	89	381.367	5	↓ MOL2 SDF SMILES Flexibase

49546935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(2-fluorophenyl)methyl]acet 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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	6.98	-26.58	1	8	0	89	399.357	5	↓ MOL2 SDF SMILES Flexibase

49546999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-isopropoxyphenyl)methyl] 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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)	2.48	8.26	-25.21	1	9	0	98	455.902	7	↓ MOL2 SDF SMILES Flexibase

49547536

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-methoxyphenyl)methyl]ace 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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	6.26	-26.15	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49548155

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(3-chlorophenyl)methyl]-2-(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)	1.66	7.4	-23.95	1	8	0	89	397.822	5	↓ MOL2 SDF SMILES Flexibase

49548394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-fluorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(2-fluorophenyl)methyl]-2-[6-…

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)	1.18	6.19	-26.4	1	9	0	98	411.393	6	↓ MOL2 SDF SMILES Flexibase

49548837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-bromophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(2-bromophenyl)methyl]-2-(2,5…

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)	1.77	7.38	-24.45	1	8	0	89	442.273	5	↓ MOL2 SDF SMILES Flexibase

49549245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]acet N-[(3-chlorophenyl)methyl]-2-[6-…

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)	1.83	7.47	-25.17	1	8	0	89	415.812	5	↓ MOL2 SDF SMILES Flexibase

49549486

Analogs

36359375
36359512

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-fluorophenyl)methyl]acet 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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)	1.34	7.02	-25.25	1	8	0	89	399.357	5	↓ MOL2 SDF SMILES Flexibase

49549587

Analogs

44893377

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(4-bromophenyl)methyl]-2-(2,5…

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)	1.82	7.51	-23.51	1	8	0	89	442.273	5	↓ MOL2 SDF SMILES Flexibase

49549648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-chlorophenyl)methyl]-2-[6-(4-methoxyphenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]ace N-[(3-chlorophenyl)methyl]-2-[6-…

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)	1.72	6.68	-24.86	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49549738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(3-methoxyphenyl)methyl]ace 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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)	1.72	6.71	-25.84	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49549968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-methoxyphenyl)methyl]ace 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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)	1.74	6.71	-25.46	1	9	0	98	427.848	6	↓ MOL2 SDF SMILES Flexibase

49550219

Analogs

36359424
36359496

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-chlorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(4-chlorophenyl)methyl]acet 2-[6-(4-chlorophenyl)-2,5-dioxo-…

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)	2.37	7.93	-24.08	1	8	0	89	432.267	5	↓ MOL2 SDF SMILES Flexibase

49550531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[6-(4-fluorophenyl)-2,5-dioxo-7H-imidazo[5,1-e][1,2,4]triazol-3-yl]-N-[(3-fluorophenyl)methyl]acet 2-[6-(4-fluorophenyl)-2,5-dioxo-…

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)	1.31	7.02	-25.8	1	8	0	89	399.357	5	↓ MOL2 SDF SMILES Flexibase

49550564

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-(2,5-dioxo-6-phenyl-7H-imidazo[5,1-e][1,2,4]triazol-3-yl)acetamide N-[(2-chlorophenyl)methyl]-2-(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)	1.64	7.3	-24.63	1	8	0	89	397.822	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 582477
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 = 582477 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=582477&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": "582477"        

    });
</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