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

67172511

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methylphenyl)-3,4-dihydro-2H-pyrido[2,3-e][1,2,4]thiadiazine 1,1-dioxide 4-(4-methylphenyl)-3,4-dihydro-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)	2.15	4.03	-12.27	1	5	0	62	275.333	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.15	3.59	-44.83	0	5	-1	64	274.325	1	↓ MOL2 SDF SMILES Flexibase

67245872

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-methoxyphenyl)methyl]-2-(p-tolylmethyl)-3H-pyrido[2,3-e][1,2,4]thiadiazine 4-[(4-methoxyphenyl)methyl]-2-(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)	3.56	9.62	-18.07	0	6	0	63	409.511	5	↓ MOL2 SDF SMILES Flexibase

49411367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(4-ethoxyphenyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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)	3.56	7.65	-20.67	1	8	0	92	438.509	6	↓ MOL2 SDF SMILES Flexibase

49411369

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-chlorophenyl)methyl]-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-[(2-chlorophenyl)methyl]-2-(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)	3.59	8.01	-17.88	1	7	0	83	442.928	5	↓ MOL2 SDF SMILES Flexibase

49411371

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(3-methoxyphenyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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)	3.15	6.72	-20.42	1	8	0	92	424.482	5	↓ MOL2 SDF SMILES Flexibase

49411373

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-(2-chlorophenyl)-2-(1,1-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)	3.75	8.1	-17.41	1	7	0	83	428.901	4	↓ MOL2 SDF SMILES Flexibase

49411375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(p-tolyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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)	3.57	8.1	-19.8	1	7	0	83	408.483	4	↓ MOL2 SDF SMILES Flexibase

49411377

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-methyl-phenyl)-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-(3-chloro-4-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)	4.18	8.53	-18.91	1	7	0	83	442.928	4	↓ MOL2 SDF SMILES Flexibase

49411379

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-(3,4-dimethylphenyl)-2-(1,1-di…

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)	3.95	8.66	-19.92	1	7	0	83	422.51	4	↓ MOL2 SDF SMILES Flexibase

49411381

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(4-methoxyphenyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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)	3.18	6.72	-20.82	1	8	0	92	424.482	5	↓ MOL2 SDF SMILES Flexibase

49411383

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(4-fluorophenyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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)	3.29	7.54	-20.39	1	7	0	83	412.446	4	↓ MOL2 SDF SMILES Flexibase

49411384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-(m-tolyl)acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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	8.1	-19.74	1	7	0	83	408.483	4	↓ MOL2 SDF SMILES Flexibase

49411386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)acetamide N-(3-chlorophenyl)-2-(1,1-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)	3.78	7.99	-21.76	1	7	0	83	428.901	4	↓ MOL2 SDF SMILES Flexibase

49411388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2-methyl-phenyl)-2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)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)	4.18	8.8	-22.54	1	7	0	83	442.928	4	↓ MOL2 SDF SMILES Flexibase

49411390

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(1,1-dioxo-4-phenyl-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl)-N-phenyl-acetamide 2-(1,1-dioxo-4-phenyl-3H-pyrido[…

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)	3.12	7.42	-19.74	1	7	0	83	394.456	4	↓ MOL2 SDF SMILES Flexibase

49411392

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-benzyl-2-[1,1-dioxo-4-(p-tolyl…

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)	3.41	8.27	-17.85	1	7	0	83	422.51	5	↓ MOL2 SDF SMILES Flexibase

49411394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-cyclohexyl-2-[1,1-dioxo-4-(p-t…

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	7.96	-18.18	1	7	0	83	414.531	4	↓ MOL2 SDF SMILES Flexibase

49411396

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-butyl-2-[1,1-dioxo-4-(p-tolyl)…

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)	3.45	6.75	-18.88	1	7	0	83	388.493	6	↓ MOL2 SDF SMILES Flexibase

49411397

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3,4-dihydro-2H-quinolin-1-yl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]eth 1-(3,4-dihydro-2H-quinolin-1-yl)…

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)	3.96	10.7	-20.47	0	7	0	74	448.548	3	↓ MOL2 SDF SMILES Flexibase

49411399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-phenethyl-acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	3.81	9.04	-20.03	1	7	0	83	436.537	6	↓ MOL2 SDF SMILES Flexibase

49411401

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-1-pyrrolidin-1-yl-ethanone 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	2.15	7.64	-18.6	0	7	0	74	386.477	3	↓ MOL2 SDF SMILES Flexibase

49411403

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)	2.64	7.78	-16.63	0	7	0	80	361.423	5	↓ MOL2 SDF SMILES Flexibase

49411405

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(3-methoxyphenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	3.60	7.45	-23.56	1	8	0	92	438.509	5	↓ MOL2 SDF SMILES Flexibase

49411407

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(4-ethylphenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	4.49	9.54	-19.57	1	7	0	83	436.537	5	↓ MOL2 SDF SMILES Flexibase

49411409

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(2-chlorophenyl)-2-[1,1-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)	4.20	8.77	-17.29	1	7	0	83	442.928	4	↓ MOL2 SDF SMILES Flexibase

49411411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(p-tolyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	4.02	8.78	-19.69	1	7	0	83	422.51	4	↓ MOL2 SDF SMILES Flexibase

49411413

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(2-methoxyphenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	3.58	7.55	-19.13	1	8	0	92	438.509	5	↓ MOL2 SDF SMILES Flexibase

49411415

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one 2-[[1,1-dioxo-4-(p-tolyl)-3H-pyr…

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)	3.15	9.47	-23.33	0	8	0	88	433.493	3	↓ MOL2 SDF SMILES Flexibase

49411417

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-ethyl-N-phenyl-acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	3.83	10.62	-19.46	0	7	0	74	436.537	5	↓ MOL2 SDF SMILES Flexibase

49411419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-1-[(2R)-2-ethyl-1-piperidyl]ethanon 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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	9.51	-17.68	0	7	0	74	428.558	4	↓ MOL2 SDF SMILES Flexibase

49411421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-1-[(2S)-2-ethyl-1-piperidyl]ethanon 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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	9.55	-17.09	0	7	0	74	428.558	4	↓ MOL2 SDF SMILES Flexibase

49411423

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(2-ethylphenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	4.44	9.73	-20.42	1	7	0	83	436.537	5	↓ MOL2 SDF SMILES Flexibase

49411425

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-methyl-acetamide N-butyl-2-[1,1-dioxo-4-(p-tolyl)…

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)	3.19	8.83	-19.24	0	7	0	74	402.52	6	↓ MOL2 SDF SMILES Flexibase

49411427

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-1-[(2S)-2-methyl-1-piperidyl]ethano 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	2.99	8.98	-17.38	0	7	0	74	414.531	3	↓ MOL2 SDF SMILES Flexibase

49411429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-1-[(2R)-2-methyl-1-piperidyl]ethano 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	2.99	8.98	-17.02	0	7	0	74	414.531	3	↓ MOL2 SDF SMILES Flexibase

49411431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(4-methoxyphenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	3.63	7.44	-20.59	1	8	0	92	438.509	5	↓ MOL2 SDF SMILES Flexibase

49411433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(4-fluorophenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	3.73	8.22	-20.19	1	7	0	83	426.473	4	↓ MOL2 SDF SMILES Flexibase

49411435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(o-tolyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	3.97	9.03	-19.25	1	7	0	83	422.51	4	↓ MOL2 SDF SMILES Flexibase

49411437

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(m-tolyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	4.00	8.83	-20.03	1	7	0	83	422.51	4	↓ MOL2 SDF SMILES Flexibase

49411439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chlorophenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(3-chlorophenyl)-2-[1,1-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)	4.22	8.67	-21.57	1	7	0	83	442.928	4	↓ MOL2 SDF SMILES Flexibase

49411441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-dimethylphenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(2,4-dimethylphenyl)-2-[1,1-di…

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)	4.40	9.7	-19.3	1	7	0	83	436.537	4	↓ MOL2 SDF SMILES Flexibase

49411443

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,4-difluorophenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(2,4-difluorophenyl)-2-[1,1-di…

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)	3.83	8.32	-16.67	1	7	0	83	444.463	4	↓ MOL2 SDF SMILES Flexibase

49411445

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(2-fluorophenyl)acetamide 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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	8.26	-17.74	1	7	0	83	426.473	4	↓ MOL2 SDF SMILES Flexibase

49411447

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-methyl-acetamide N-cyclohexyl-2-[1,1-dioxo-4-(p-t…

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)	3.66	9.72	-18.31	0	7	0	74	428.558	4	↓ MOL2 SDF SMILES Flexibase

49411449

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]-N-(3-fluoro-4-methyl-phenyl)acetami 2-[1,1-dioxo-4-(p-tolyl)-3H-pyri…

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)	4.11	8.86	-23.06	1	7	0	83	440.5	4	↓ MOL2 SDF SMILES Flexibase

49411451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methoxyphenyl)methyl]-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazine 2-[(3-methoxyphenyl)methyl]-4-(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)	3.83	8.97	-16.56	0	6	0	63	395.484	4	↓ MOL2 SDF SMILES Flexibase

49411453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(3,5-dimethylphenyl)-2-[1,1-di…

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)	4.40	9.49	-19.88	1	7	0	83	436.537	4	↓ MOL2 SDF SMILES Flexibase

49411455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(4-chlorophenyl)-2-[1,1-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)	4.25	8.67	-19.57	1	7	0	83	442.928	4	↓ MOL2 SDF SMILES Flexibase

49411457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-2-[1,1-dioxo-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazin-2-yl]acetamide N-(2,5-dimethylphenyl)-2-[1,1-di…

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)	4.40	9.7	-19.31	1	7	0	83	436.537	4	↓ MOL2 SDF SMILES Flexibase

49411459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-benzyl-4-(p-tolyl)-3H-pyrido[2,3-e][1,2,4]thiadiazine 2-benzyl-4-(p-tolyl)-3H-pyrido[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)	3.80	9.67	-13.46	0	5	0	54	365.458	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 502992
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 = 502992 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=502992&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": "502992"        

    });
</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