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

41644733

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[(1S)-1-phenylpropyl]-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[(1S)-1-ph…

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)	2.46	9.07	-12.37	2	4	0	58	340.448	4	↓ MOL2 SDF SMILES Flexibase

41644736

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[(1R)-1-phenylpropyl]-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[(1R)-1-ph…

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)	2.46	9.06	-12.69	2	4	0	58	340.448	4	↓ MOL2 SDF SMILES Flexibase

41644739

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[(1S)-1-phenylpropyl]-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[(1S)-1-ph…

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)	2.46	7.65	-11.09	2	4	0	58	340.448	4	↓ MOL2 SDF SMILES Flexibase

41644741

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[(1R)-1-phenylpropyl]-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[(1R)-1-ph…

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)	2.46	7.64	-11.14	2	4	0	58	340.448	4	↓ MOL2 SDF SMILES Flexibase

41644744

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[(1S)-1-(4-methoxyphenyl)…

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)	2.92	7.87	-13.95	2	5	0	67	356.447	4	↓ MOL2 SDF SMILES Flexibase

41644747

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[(1R)-1-(4-methoxyphenyl)…

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)	2.92	7.86	-14.2	2	5	0	67	356.447	4	↓ MOL2 SDF SMILES Flexibase

41644750

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[(1S)-1-(4-methoxyphenyl)…

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)	2.92	6.33	-12.71	2	5	0	67	356.447	4	↓ MOL2 SDF SMILES Flexibase

41644753

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[(1R)-1-(4-methoxyphenyl)…

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)	2.92	6.32	-12.8	2	5	0	67	356.447	4	↓ MOL2 SDF SMILES Flexibase

41644756

Analogs

40773795
40773797
40773799

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(4-isopropylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[(1R)-1-(4-isopropylpheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	10.49	-13.03	2	4	0	58	368.502	4	↓ MOL2 SDF SMILES Flexibase

41644758

Analogs

40773795
40773797
40773799

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(4-isopropylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[(1S)-1-(4-isopropylpheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	10.5	-12.78	2	4	0	58	368.502	4	↓ MOL2 SDF SMILES Flexibase

41644761

Analogs

40773795
40773797
40773799

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(4-isopropylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[(1R)-1-(4-isopropylpheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	8.95	-11.49	2	4	0	58	368.502	4	↓ MOL2 SDF SMILES Flexibase

41644764

Analogs

40773795
40773797
40773799

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(4-isopropylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[(1S)-1-(4-isopropylpheny…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	8.96	-11.31	2	4	0	58	368.502	4	↓ MOL2 SDF SMILES Flexibase

41644780

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[(1S)-1-(2,5-dimethoxyphe…

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)	2.90	7.25	-15.62	2	6	0	77	386.473	5	↓ MOL2 SDF SMILES Flexibase

41644783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[(1R)-1-(2,5-dimethoxyphe…

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)	2.90	7.24	-15.84	2	6	0	77	386.473	5	↓ MOL2 SDF SMILES Flexibase

41644786

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[(1S)-1-(2,5-dimethoxyphe…

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)	2.90	5.7	-14.07	2	6	0	77	386.473	5	↓ MOL2 SDF SMILES Flexibase

41644789

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[(1R)-1-(2,5-dimethoxyphe…

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)	2.90	5.7	-14.02	2	6	0	77	386.473	5	↓ MOL2 SDF SMILES Flexibase

41644792

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[(1R)-1-(2,4-dimethylphen…

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	9.73	-13.24	2	4	0	58	354.475	3	↓ MOL2 SDF SMILES Flexibase

41644795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[(1S)-1-(2,4-dimethylphen…

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	9.82	-13.08	2	4	0	58	354.475	3	↓ MOL2 SDF SMILES Flexibase

41644798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[(1R)-1-(2,4-dimethylphen…

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	8.19	-11.7	2	4	0	58	354.475	3	↓ MOL2 SDF SMILES Flexibase

41644801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(2,4-dimethylphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[(1S)-1-(2,4-dimethylphen…

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	8.27	-11.62	2	4	0	58	354.475	3	↓ MOL2 SDF SMILES Flexibase

41644804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[(1S)-1-(3-methoxyphenyl)…

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)	2.89	7.86	-14.97	2	5	0	67	356.447	4	↓ MOL2 SDF SMILES Flexibase

41644807

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2R)-N-[(1R)-1-(3-methoxyphenyl)…

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)	2.89	7.85	-15.42	2	5	0	67	356.447	4	↓ MOL2 SDF SMILES Flexibase

41644810

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[(1S)-1-(3-methoxyphenyl)…

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)	2.89	6.33	-13.55	2	5	0	67	356.447	4	↓ MOL2 SDF SMILES Flexibase

41644813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-(3-methoxyphenyl)ethyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carboxamide (2S)-N-[(1R)-1-(3-methoxyphenyl)…

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)	2.89	6.31	-13.8	2	5	0	67	356.447	4	↓ MOL2 SDF SMILES Flexibase

41645208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbo (2S)-N-[(1S)-3-(dimethylamino)-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)	2.05	8.97	-42.01	3	5	1	63	402.515	6	↓ MOL2 SDF SMILES Flexibase

41645211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbo (2R)-N-[(1S)-3-(dimethylamino)-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)	2.05	10.37	-39.85	3	5	1	63	402.515	6	↓ MOL2 SDF SMILES Flexibase

41645214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbo (2S)-N-[(1R)-3-(dimethylamino)-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)	2.05	8.93	-44.1	3	5	1	63	402.515	6	↓ MOL2 SDF SMILES Flexibase

41645217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-3-(dimethylamino)-1-(4-fluorophenyl)propyl]-2-methyl-3-oxo-4H-1,4-benzothiazine-2-carbo (2R)-N-[(1R)-3-(dimethylamino)-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)	2.05	10.37	-42.05	3	5	1	63	402.515	6	↓ MOL2 SDF SMILES Flexibase

41645418

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[[2-(trifl…

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	7.59	-12.7	2	4	0	58	380.391	4	↓ MOL2 SDF SMILES Flexibase

41645421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[[2-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[[2-(trifl…

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	9.15	-14.41	2	4	0	58	380.391	4	↓ MOL2 SDF SMILES Flexibase

41645591

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[(4-sulfamoylphenyl)methyl]-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[(4-sulfam…

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)	1.00	1.15	-19.37	4	7	0	118	391.474	4	↓ MOL2 SDF SMILES Flexibase

41645594

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[(4-sulfamoylphenyl)methyl]-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[(4-sulfam…

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)	1.00	2.7	-20.45	4	7	0	118	391.474	4	↓ MOL2 SDF SMILES Flexibase

41645619

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzothiazine-2-carboxamide (2S)-2-methyl-3-oxo-N-[[3-(trifl…

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)	3.17	7.21	-12.27	2	4	0	58	380.391	4	↓ MOL2 SDF SMILES Flexibase

41645622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-methyl-3-oxo-N-[[3-(trifluoromethyl)phenyl]methyl]-4H-1,4-benzothiazine-2-carboxamide (2R)-2-methyl-3-oxo-N-[[3-(trifl…

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)	3.17	8.76	-13.49	2	4	0	58	380.391	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 559735
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 = 559735 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=559735&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": "559735"        

    });
</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