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

62658783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-thienyl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(2-thienyl)ethyl]thiaz…

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)	2.16	3.47	-8.71	1	3	0	42	238.337	3	↓ MOL2 SDF SMILES Flexibase

62658787

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-thienyl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(2-thienyl)ethyl]thiaz…

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)	2.16	3.47	-8.69	1	3	0	42	238.337	3	↓ MOL2 SDF SMILES Flexibase

62659762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-(2-thienylmethyl)thiazole-4-carboxamide N-methyl-N-(2-thienylmethyl)thia…

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	5.4	-9.47	0	3	0	33	238.337	3	↓ MOL2 SDF SMILES Flexibase

62661229

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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	4.52	-13.81	1	5	0	68	296.373	6	↓ MOL2 SDF SMILES Flexibase

62661231

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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	4.52	-13.79	1	5	0	68	296.373	6	↓ MOL2 SDF SMILES Flexibase

62661421

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-(thiazole-4-carbonylamino)-3-(2-thienyl)propanoic (3R)-3-(thiazole-4-carbonylamino…

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)	1.30	3.98	-55.23	1	5	-1	82	281.338	5	↓ MOL2 SDF SMILES Flexibase

62661426

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(thiazole-4-carbonylamino)-3-(2-thienyl)propanoic (3S)-3-(thiazole-4-carbonylamino…

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)	1.30	3.98	-55.42	1	5	-1	82	281.338	5	↓ MOL2 SDF SMILES Flexibase

62661784

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]-N-ethyl-thiazole-4-carboxamide N-[(5-bromo-2-thienyl)methyl]-N-…

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	7.5	-7.81	0	3	0	33	331.26	4	↓ MOL2 SDF SMILES Flexibase

62661989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(3-methyl-2-thienyl)methyl]thiazole-4-carboxamide N-methyl-N-[(3-methyl-2-thienyl)…

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)	2.22	5.93	-8.58	0	3	0	33	252.364	3	↓ MOL2 SDF SMILES Flexibase

62662552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S)-1-(2-thienyl)ethyl]thiazole-4-carboxamide N-methyl-N-[(1S)-1-(2-thienyl)et…

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)	2.40	5.77	-9.4	0	3	0	33	252.364	3	↓ MOL2 SDF SMILES Flexibase

62662555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R)-1-(2-thienyl)ethyl]thiazole-4-carboxamide N-methyl-N-[(1R)-1-(2-thienyl)et…

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)	2.40	5.71	-9.32	0	3	0	33	252.364	3	↓ MOL2 SDF SMILES Flexibase

62662582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]thiazole-4-carboxamide N-methyl-N-[(1R)-1-(5-methyl-2-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)	2.62	6.55	-9.61	0	3	0	33	266.391	3	↓ MOL2 SDF SMILES Flexibase

62662585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]thiazole-4-carboxamide N-methyl-N-[(1S)-1-(5-methyl-2-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)	2.62	6.6	-9.7	0	3	0	33	266.391	3	↓ MOL2 SDF SMILES Flexibase

62662840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]thiazole-4-carboxamide N-[(5-bromo-2-thienyl)methyl]thi…

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)	2.53	3.37	-7.83	1	3	0	42	303.206	3	↓ MOL2 SDF SMILES Flexibase

62663328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-N-(2-thienylmethyl)thiazole-4-carboxamide N-isopropyl-N-(2-thienylmethyl)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)	2.52	7.39	-8.54	0	3	0	33	266.391	4	↓ MOL2 SDF SMILES Flexibase

62663367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-methyl-2-thienyl)ethyl]thiazole-4-carboxamide N-[(1R)-1-(5-methyl-2-thienyl)et…

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)	2.38	4.3	-8.84	1	3	0	42	252.364	3	↓ MOL2 SDF SMILES Flexibase

62663370

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-methyl-2-thienyl)ethyl]thiazole-4-carboxamide N-[(1S)-1-(5-methyl-2-thienyl)et…

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)	2.38	4.3	-8.85	1	3	0	42	252.364	3	↓ MOL2 SDF SMILES Flexibase

62663386

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-thienyl)propyl]thiazole-4-carboxamide N-[(1S)-1-(2-thienyl)propyl]thia…

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)	2.66	4.08	-8.04	1	3	0	42	252.364	4	↓ MOL2 SDF SMILES Flexibase

62663389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-thienyl)propyl]thiazole-4-carboxamide N-[(1R)-1-(2-thienyl)propyl]thia…

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)	2.66	4.08	-8.03	1	3	0	42	252.364	4	↓ MOL2 SDF SMILES Flexibase

62663391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2-thienyl)butyl]thiazole-4-carboxamide N-[(1S)-1-(2-thienyl)butyl]thiaz…

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)	3.22	4.83	-7.91	1	3	0	42	266.391	5	↓ MOL2 SDF SMILES Flexibase

62663393

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2-thienyl)butyl]thiazole-4-carboxamide N-[(1R)-1-(2-thienyl)butyl]thiaz…

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)	3.22	4.83	-7.92	1	3	0	42	266.391	5	↓ MOL2 SDF SMILES Flexibase

62663686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-methyl-2-thienyl)methyl]thiazole-4-carboxamide N-[(5-methyl-2-thienyl)methyl]th…

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	3.47	-8.9	1	3	0	42	238.337	3	↓ MOL2 SDF SMILES Flexibase

69351858

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-isopropyl-N-[(5-sulfamoyl-2-thienyl)methyl]thiazole-4-carboxamide 2-isopropyl-N-[(5-sulfamoyl-2-th…

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)	1.35	-0.26	-14.24	3	6	0	102	345.471	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.35	0.21	-45.52	2	6	-1	100	344.463	5	↓ MOL2 SDF SMILES Flexibase

55414446

Analogs

4561145

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(dimethylaminomethyl)-N-[(1S)-1-(hydroxymethyl)propyl]-N-[(5-methyl-2-thienyl)methyl]thiazole-4-ca 2-(dimethylaminomethyl)-N-[(1S)-…

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	-52.64	2	5	1	58	368.548	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.83	4.98	-8.91	1	5	0	57	367.54	8	↓ MOL2 SDF SMILES Flexibase

55414447

Analogs

4561145

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(dimethylaminomethyl)-N-[(1R)-1-(hydroxymethyl)propyl]-N-[(5-methyl-2-thienyl)methyl]thiazole-4-ca 2-(dimethylaminomethyl)-N-[(1R)-…

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	7.09	-52.9	2	5	1	58	368.548	8	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.83	4.6	-8.86	1	5	0	57	367.54	8	↓ MOL2 SDF SMILES Flexibase

48793781

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-acetamido-N-[(4-bromo-2-thienyl)methyl]thiazole-4-carboxamide 2-acetamido-N-[(4-bromo-2-thieny…

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)	1.68	3.48	-10.54	2	5	0	71	360.258	4	↓ MOL2 SDF SMILES Flexibase

49303487

Analogs

36992431
36992432
36992433
36992434

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(5-chloro-2-thienyl)ethyl]-2-methyl-thiazole-4-carboxamide N-[(1S)-1-(5-chloro-2-thienyl)et…

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)	2.67	4.83	-7.33	1	3	0	42	286.809	3	↓ MOL2 SDF SMILES Flexibase

49303490

Analogs

36992431
36992432
36992433
36992434

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(5-chloro-2-thienyl)ethyl]-2-methyl-thiazole-4-carboxamide N-[(1R)-1-(5-chloro-2-thienyl)et…

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)	2.67	4.83	-7.31	1	3	0	42	286.809	3	↓ MOL2 SDF SMILES Flexibase

49307316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-(2-thienylmethyl)thiazole-4-carboxamide 2-methyl-N-(2-thienylmethyl)thia…

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	3.38	-8.41	1	3	0	42	238.337	3	↓ MOL2 SDF SMILES Flexibase

49307430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S)-1-(2-thienyl)ethyl]thiazole-4-carboxamide 2-methyl-N-[(1S)-1-(2-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	4.2	-8.29	1	3	0	42	252.364	3	↓ MOL2 SDF SMILES Flexibase

49307433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-1-(2-thienyl)ethyl]thiazole-4-carboxamide 2-methyl-N-[(1R)-1-(2-thienyl)et…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.87	4.2	-8.29	1	3	0	42	252.364	3	↓ MOL2 SDF SMILES Flexibase

49307589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-2-methyl-1-(2-thienyl)propyl]thiazole-4-carboxamide 2-methyl-N-[(1R)-2-methyl-1-(2-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)	2.62	5.65	-7.51	1	3	0	42	280.418	4	↓ MOL2 SDF SMILES Flexibase

49307592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S)-2-methyl-1-(2-thienyl)propyl]thiazole-4-carboxamide 2-methyl-N-[(1S)-2-methyl-1-(2-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)	2.62	5.48	-8.07	1	3	0	42	280.418	4	↓ MOL2 SDF SMILES Flexibase

49313309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-thienyl)methyl]-2-methyl-thiazole-4-carboxamide N-[(4-bromo-2-thienyl)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)	2.05	3.99	-7.69	1	3	0	42	317.233	3	↓ MOL2 SDF SMILES Flexibase

49313492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2,2-dimethyl-1-(2-thienyl)propyl]-2-methyl-thiazole-4-carboxamide N-[(1R)-2,2-dimethyl-1-(2-thieny…

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)	3.20	5.94	-7.47	1	3	0	42	294.445	4	↓ MOL2 SDF SMILES Flexibase

49313494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2,2-dimethyl-1-(2-thienyl)propyl]-2-methyl-thiazole-4-carboxamide N-[(1S)-2,2-dimethyl-1-(2-thieny…

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)	3.20	5.95	-7.47	1	3	0	42	294.445	4	↓ MOL2 SDF SMILES Flexibase

49313610

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-ethyl-1-(2-thienyl)butyl]-2-methyl-thiazole-4-carboxamide N-[(1S)-2-ethyl-1-(2-thienyl)but…

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)	3.62	6.62	-8.59	1	3	0	42	308.472	6	↓ MOL2 SDF SMILES Flexibase

49313612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-ethyl-1-(2-thienyl)butyl]-2-methyl-thiazole-4-carboxamide N-[(1R)-2-ethyl-1-(2-thienyl)but…

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)	3.62	6.84	-8.62	1	3	0	42	308.472	6	↓ MOL2 SDF SMILES Flexibase

49313715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-1-(5-methyl-2-thienyl)ethyl]thiazole-4-carboxamide 2-methyl-N-[(1R)-1-(5-methyl-2-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)	2.09	5.03	-8.53	1	3	0	42	266.391	3	↓ MOL2 SDF SMILES Flexibase

49313717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S)-1-(5-methyl-2-thienyl)ethyl]thiazole-4-carboxamide 2-methyl-N-[(1S)-1-(5-methyl-2-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)	2.09	5.03	-8.52	1	3	0	42	266.391	3	↓ MOL2 SDF SMILES Flexibase

49340839

Analogs

37985193

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]-N,2-dimethyl-thiazole-4-carboxamide N-[(5-bromo-2-thienyl)methyl]-N,…

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)	2.49	6.87	-9.8	0	3	0	33	331.26	3	↓ MOL2 SDF SMILES Flexibase

49341577

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-chloro-2-thienyl)methyl]-2-methyl-thiazole-4-carboxamide N-[(5-chloro-2-thienyl)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)	2.11	4	-7.4	1	3	0	42	272.782	3	↓ MOL2 SDF SMILES Flexibase

49341830

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-ethyl-2-thienyl)methyl]-2-methyl-thiazole-4-carboxamide N-[(5-ethyl-2-thienyl)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)	2.11	5	-8.31	1	3	0	42	266.391	4	↓ MOL2 SDF SMILES Flexibase

49341891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-thienyl)methyl]-N,2-dimethyl-thiazole-4-carboxamide N-[(4-bromo-2-thienyl)methyl]-N,…

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)	2.29	6.76	-8.6	0	3	0	33	331.26	3	↓ MOL2 SDF SMILES Flexibase

49342208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S)-1-(2-thienyl)propyl]thiazole-4-carboxamide 2-methyl-N-[(1S)-1-(2-thienyl)pr…

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	4.81	-7.72	1	3	0	42	266.391	4	↓ MOL2 SDF SMILES Flexibase

49342209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-1-(2-thienyl)propyl]thiazole-4-carboxamide 2-methyl-N-[(1R)-1-(2-thienyl)pr…

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	4.81	-7.72	1	3	0	42	266.391	4	↓ MOL2 SDF SMILES Flexibase

49342240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1S)-3-methyl-1-(2-thienyl)butyl]thiazole-4-carboxamide 2-methyl-N-[(1S)-3-methyl-1-(2-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)	3.15	6.44	-8.68	1	3	0	42	294.445	5	↓ MOL2 SDF SMILES Flexibase

49342241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(1R)-3-methyl-1-(2-thienyl)butyl]thiazole-4-carboxamide 2-methyl-N-[(1R)-3-methyl-1-(2-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)	3.15	6.47	-8.75	1	3	0	42	294.445	5	↓ MOL2 SDF SMILES Flexibase

49342529

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[(3-methyl-2-thienyl)methyl]thiazole-4-carboxamide 2-methyl-N-[(3-methyl-2-thienyl)…

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	3.94	-8.46	1	3	0	42	252.364	3	↓ MOL2 SDF SMILES Flexibase

49354439

Analogs

37985193

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(5-bromo-2-thienyl)methyl]-2-methyl-thiazole-4-carboxamide N-[(5-bromo-2-thienyl)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)	2.25	4.11	-7.44	1	3	0	42	317.233	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 265771
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 = 265771 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=265771&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": "265771"        

    });
</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