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

6541058

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-3-nitro-benzamide N-[4-(3-fluoro-4-methoxy-phenyl)…

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)	3.64	1.03	-18.22	1	7	0	97	373.365	5	↓ MOL2 SDF SMILES Flexibase

6541062

Analogs

6541078
7416291
7688712
9585217
3292968

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-benzamide 2-bromo-N-[4-(3-fluoro-4-methoxy…

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)	4.46	-0.16	-12.52	1	4	0	51	407.264	4	↓ MOL2 SDF SMILES Flexibase

6541066

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-4-nitro-benzamide N-[4-(3-fluoro-4-methoxy-phenyl)…

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	1.03	-14.02	1	7	0	97	373.365	5	↓ MOL2 SDF SMILES Flexibase

6541078

Analogs

6541117
6541062

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-3-methoxy-benzamide N-[4-(3-fluoro-4-methoxy-phenyl)…

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)	3.74	0.53	-13.4	1	5	0	60	358.394	5	↓ MOL2 SDF SMILES Flexibase

6541087

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3-fluoro-4-methoxy-phenyl)thiazol-2-yl]-3,5-dimethoxy-benzamide N-[4-(3-fluoro-4-methoxy-phenyl)…

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	0.54	-14.41	1	6	0	69	388.42	6	↓ MOL2 SDF SMILES Flexibase

6878629

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)-3,4,5-trimethoxy-benzamide N-[4-(2,5-dimethoxyphenyl)thiazo…

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)	3.77	3.02	-53.04	1	9	1	83	516.64	12	↓ MOL2 SDF SMILES Flexibase

6878630

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)-4-methoxy-benzamide N-[4-(2,5-dimethoxyphenyl)thiazo…

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	2.14	-60.73	1	7	1	65	456.588	10	↓ MOL2 SDF SMILES Flexibase

6878631

Analogs

6511266

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)benzamide 2-chloro-N-[4-(2,5-dimethoxyphen…

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)	4.77	2.02	-53.3	1	6	1	56	461.007	9	↓ MOL2 SDF SMILES Flexibase

6878632

Analogs

6511275

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)-3,4,5-trimethoxy-benzamide N-[4-(4-chlorophenyl)thiazol-2-y…

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)	4.41	2.73	-55.76	1	7	1	65	491.033	10	↓ MOL2 SDF SMILES Flexibase

6878633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[4-(4-chlorophenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)benzamide 4-bromo-N-[4-(4-chlorophenyl)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)	5.59	1.1	-57.8	1	4	1	37	479.851	7	↓ MOL2 SDF SMILES Flexibase

6878634

Analogs

6511279

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-chlorophenyl)thiazol-2-yl]-N-(3-dimethylaminopropyl)-4-methoxy-benzamide N-[4-(4-chlorophenyl)thiazol-2-y…

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)	4.83	1.89	-59.69	1	5	1	46	430.981	8	↓ MOL2 SDF SMILES Flexibase

6878635

Analogs

6511285

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-N-[4-(4-fluorophenyl)thiazol-2-yl]-3,4,5-trimethoxy-benzamide N-(3-dimethylaminopropyl)-N-[4-(…

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)	3.90	3.61	-56.45	1	7	1	65	474.578	10	↓ MOL2 SDF SMILES Flexibase

6878636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(3-dimethylaminopropyl)-N-[4-(4-fluorophenyl)thiazol-2-yl]-benzamide 4-bromo-N-(3-dimethylaminopropyl…

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)	5.07	1.99	-58.68	1	4	1	37	463.396	7	↓ MOL2 SDF SMILES Flexibase

6878638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-2,6-dimethoxy-N-[4-(4-methoxyphenyl)thiazol-2-yl]-benzamide N-(3-dimethylaminopropyl)-2,6-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)	4.17	1.73	-41.31	1	7	1	65	456.588	10	↓ MOL2 SDF SMILES Flexibase

6878639

Analogs

6511314

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-3,4,5-trimethoxy-N-[4-(4-methoxyphenyl)thiazol-2-yl]-benzamide N-(3-dimethylaminopropyl)-3,4,5-…

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)	3.79	11.61	-54.7	1	8	1	75	486.614	11	↓ MOL2 SDF SMILES Flexibase

6878640

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-dimethylaminopropyl)-3,4-dimethoxy-N-[4-(4-methoxyphenyl)thiazol-2-yl]-benzamide N-(3-dimethylaminopropyl)-3,4-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)	3.80	2.39	-63.06	1	7	1	65	456.588	10	↓ MOL2 SDF SMILES Flexibase

6878641

Analogs

6511300

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(3-dimethylaminopropyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-benzamide 4-bromo-N-(3-dimethylaminopropyl…

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)	4.97	12.79	-59.11	1	5	1	47	475.432	8	↓ MOL2 SDF SMILES Flexibase

6878642

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-(3-dimethylaminopropyl)-N-[4-(4-methoxyphenyl)thiazol-2-yl]-benzamide 2-chloro-N-(3-dimethylaminopropy…

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)	4.79	1.86	-62.21	1	5	1	46	430.981	8	↓ MOL2 SDF SMILES Flexibase

6878644

Analogs

6511316

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-(3-dimethylaminopropyl)-N-(4-phenylthiazol-2-yl)-benzamide 4-bromo-N-(3-dimethylaminopropyl…

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)	4.91	1.25	-58.15	1	4	1	37	445.406	7	↓ MOL2 SDF SMILES Flexibase

6878775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-3,4,5-trimethoxy-N-methyl-benzamide N-[4-(2,5-dimethoxyphenyl)thiazo…

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)	3.47	2.19	-15.51	0	8	0	79	444.509	8	↓ MOL2 SDF SMILES Flexibase

40129573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-fluorophenyl)-5-methyl-thiazol-2-yl]-4-isopropylsulfonyl-benzamide N-[4-(4-fluorophenyl)-5-methyl-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)	3.55	8.29	-15.6	1	5	0	76	418.515	5	↓ MOL2 SDF SMILES Flexibase

9707685

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethylsulfonyl-N-[4-(3-nitrophenyl)thiazol-2-yl]-benzamide 2-ethylsulfonyl-N-[4-(3-nitrophe…

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)	3.13	-2.74	-22.14	1	8	0	121	417.468	6	↓ MOL2 SDF SMILES Flexibase

9707686

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-ethylsulfonyl-benzamide N-[4-(3,4-dimethoxyphenyl)thiazo…

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)	2.84	-2.91	-20.65	1	7	0	94	432.523	7	↓ MOL2 SDF SMILES Flexibase

9707687

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,5-dichlorophenyl)thiazol-2-yl]-2-ethylsulfonyl-benzamide N-[4-(2,5-dichlorophenyl)thiazol…

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)	4.48	-3.43	-15.89	1	5	0	76	441.361	5	↓ MOL2 SDF SMILES Flexibase

9707690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-2-ethylsulfonyl-benzamide N-[4-(3,4-dichlorophenyl)thiazol…

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)	4.48	-3.53	-16.18	1	5	0	76	441.361	5	↓ MOL2 SDF SMILES Flexibase

9707698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-2-ethylsulfonyl-benzamide N-[4-(2,4-dichlorophenyl)thiazol…

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)	4.48	-3.05	-16.7	1	5	0	76	441.361	5	↓ MOL2 SDF SMILES Flexibase

9707717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-3-ethylsulfonyl-benzamide N-[4-(4-bromophenyl)thiazol-2-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)	3.59	-4.68	-17.84	1	5	0	76	451.367	5	↓ MOL2 SDF SMILES Flexibase

9707719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethylsulfonyl-N-[4-(3-nitrophenyl)thiazol-2-yl]-benzamide 3-ethylsulfonyl-N-[4-(3-nitrophe…

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)	2.71	-3.4	-23.58	1	8	0	121	417.468	6	↓ MOL2 SDF SMILES Flexibase

9707720

Analogs

23655505

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-3-ethylsulfonyl-benzamide N-[4-(3,4-dimethoxyphenyl)thiazo…

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)	2.42	-3.57	-21.93	1	7	0	94	432.523	7	↓ MOL2 SDF SMILES Flexibase

9707721

Analogs

39735661

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,5-dichlorophenyl)thiazol-2-yl]-3-ethylsulfonyl-benzamide N-[4-(2,5-dichlorophenyl)thiazol…

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)	4.06	-4.09	-17.44	1	5	0	76	441.361	5	↓ MOL2 SDF SMILES Flexibase

9707723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-ethylsulfonyl-N-[4-(4-nitrophenyl)thiazol-2-yl]-benzamide 3-ethylsulfonyl-N-[4-(4-nitrophe…

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)	2.74	-3.4	-21.15	1	8	0	121	417.468	6	↓ MOL2 SDF SMILES Flexibase

9707725

Analogs

39735668

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-3-ethylsulfonyl-benzamide N-[4-(3,4-dichlorophenyl)thiazol…

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)	4.06	-4.2	-17.58	1	5	0	76	441.361	5	↓ MOL2 SDF SMILES Flexibase

9707730

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-3-ethylsulfonyl-benzamide N-[4-(2,4-dimethoxyphenyl)thiazo…

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)	2.82	-3.44	-21.56	1	7	0	94	432.523	7	↓ MOL2 SDF SMILES Flexibase

9707735

Analogs

39735681

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-3-ethylsulfonyl-benzamide N-[4-(2,4-dichlorophenyl)thiazol…

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)	4.06	-3.72	-18.13	1	5	0	76	441.361	5	↓ MOL2 SDF SMILES Flexibase

9707737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-3-ethylsulfonyl-benzamide N-[4-(2,5-dimethoxyphenyl)thiazo…

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)	2.82	-3.45	-21.12	1	7	0	94	432.523	7	↓ MOL2 SDF SMILES Flexibase

9707754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-bromophenyl)thiazol-2-yl]-4-ethylsulfonyl-benzamide N-[4-(4-bromophenyl)thiazol-2-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)	3.61	-4.67	-15.96	1	5	0	76	451.367	5	↓ MOL2 SDF SMILES Flexibase

9707756

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethylsulfonyl-N-[4-(3-nitrophenyl)thiazol-2-yl]-benzamide 4-ethylsulfonyl-N-[4-(3-nitrophe…

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)	2.74	-3.4	-22.06	1	8	0	121	417.468	6	↓ MOL2 SDF SMILES Flexibase

9707757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-4-ethylsulfonyl-benzamide N-[4-(3,4-dimethoxyphenyl)thiazo…

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)	2.45	-3.57	-20.14	1	7	0	94	432.523	7	↓ MOL2 SDF SMILES Flexibase

9707758

Analogs

39735238

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,5-dichlorophenyl)thiazol-2-yl]-4-ethylsulfonyl-benzamide N-[4-(2,5-dichlorophenyl)thiazol…

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)	4.09	-4.09	-15.54	1	5	0	76	441.361	5	↓ MOL2 SDF SMILES Flexibase

9707760

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethylsulfonyl-N-[4-(4-nitrophenyl)thiazol-2-yl]-benzamide 4-ethylsulfonyl-N-[4-(4-nitrophe…

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)	2.76	-3.4	-19.41	1	8	0	121	417.468	6	↓ MOL2 SDF SMILES Flexibase

9707761

Analogs

39735249

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3,4-dichlorophenyl)thiazol-2-yl]-4-ethylsulfonyl-benzamide N-[4-(3,4-dichlorophenyl)thiazol…

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)	4.09	-4.19	-15.65	1	5	0	76	441.361	5	↓ MOL2 SDF SMILES Flexibase

9707767

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,4-dimethoxyphenyl)thiazol-2-yl]-4-ethylsulfonyl-benzamide N-[4-(2,4-dimethoxyphenyl)thiazo…

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)	2.84	-3.43	-19.57	1	7	0	94	432.523	7	↓ MOL2 SDF SMILES Flexibase

9707773

Analogs

39735270

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,4-dichlorophenyl)thiazol-2-yl]-4-ethylsulfonyl-benzamide N-[4-(2,4-dichlorophenyl)thiazol…

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)	4.09	-3.72	-16.38	1	5	0	76	441.361	5	↓ MOL2 SDF SMILES Flexibase

9707774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(2,5-dimethoxyphenyl)thiazol-2-yl]-4-ethylsulfonyl-benzamide N-[4-(2,5-dimethoxyphenyl)thiazo…

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)	2.84	-3.45	-19.1	1	7	0	94	432.523	7	↓ MOL2 SDF SMILES Flexibase

10968715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(4-acetylamino-2-fluoro-phenyl)thiazol-2-yl]-4-(difluoromethoxy)-5-methoxy-2-nitro-benzamide N-[4-(4-acetylamino-2-fluoro-phe…

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)	2.96	1.48	-23.41	2	10	0	135	496.423	8	↓ MOL2 SDF SMILES Flexibase

29143875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-2-hydroxy-benzamide N-[4-(3,4-dimethoxyphenyl)thiazo…

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	6.26	-19.15	2	6	0	81	356.403	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.21	6.38	-123.35	0	6	-2	90	354.387	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.69	7.28	-55.9	1	6	-1	84	355.395	5	↓ MOL2 SDF SMILES Flexibase

29143900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]-4-methyl-3,5-dinitro-benzamide N-[4-(3,4-dimethoxyphenyl)thiazo…

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)	3.42	9.19	-15.71	1	11	0	152	444.425	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.49	8.27	-36.85	0	11	-1	158	443.417	7	↓ MOL2 SDF SMILES Flexibase

29144292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-4-methoxy-N-[4-(4-methoxyphenyl)thiazol-2-yl]benzamide 2-hydroxy-4-methoxy-N-[4-(4-meth…

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)	4.13	5.67	-17.24	2	6	0	81	356.403	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.13	6.69	-56.6	1	6	-1	84	355.395	5	↓ MOL2 SDF SMILES Flexibase

33445081

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(dimethylamino)-N-[4-(4-iodophenyl)thiazol-2-yl]benzamide 4-(dimethylamino)-N-[4-(4-iodoph…

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)	4.74	10.08	-10.73	1	4	0	45	449.317	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.81	9.18	-43	0	4	-1	52	448.309	4	↓ MOL2 SDF SMILES Flexibase

52917770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-acetamido-2-fluoro-N-(4-phenylthiazol-2-yl)benzamide 5-acetamido-2-fluoro-N-(4-phenyl…

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)	2.87	7.59	-16.39	2	5	0	71	355.394	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 3352
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 = 3352 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=3352&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": "3352"        

    });
</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