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

35633329

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z)-4-[2-(difluoromethoxy)phenyl]-2-(4-methoxyphenyl)imino-thiazol-3-yl]ethanol 2-[(2Z)-4-[2-(difluoromethoxy)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)	1.22	6.82	-28.93	2	5	1	55	393.435	8	↓ MOL2 SDF SMILES Flexibase

35633383

Analogs

36618883
39729384

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2Z)-2-(4-ethoxyphenyl)imino-3-(2-methoxyethyl)thiazol-4-yl]-N,N-diethyl-benzenesulfonamide 4-[(2Z)-2-(4-ethoxyphenyl)imino-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.72	10.03	-36.13	1	7	1	72	490.671	12	↓ MOL2 SDF SMILES Flexibase

35633385

Analogs

36618883
39729384

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(2Z)-3-(2-methoxyethyl)-2-(4-methoxyphenyl)imino-thiazol-4-yl]benzenesulfonamide N,N-diethyl-4-[(2Z)-3-(2-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)	1.34	9.1	-36.33	1	7	1	72	476.644	11	↓ MOL2 SDF SMILES Flexibase

35633387

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2Z)-2-(4-ethoxyphenyl)imino-3-propyl-thiazol-4-yl]-N,N-diethyl-benzenesulfonamide 4-[(2Z)-2-(4-ethoxyphenyl)imino-…

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)	2.61	11.68	-35.11	1	6	1	63	474.672	11	↓ MOL2 SDF SMILES Flexibase

35633389

Analogs

36618883

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(2Z)-3-ethyl-2-(4-methoxyphenyl)imino-thiazol-4-yl]benzenesulfonamide N,N-diethyl-4-[(2Z)-3-ethyl-2-(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)	1.73	10.09	-35.57	1	6	1	63	446.618	9	↓ MOL2 SDF SMILES Flexibase

35633391

Analogs

39729345
39729384
39729400
39729417
39729423

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(2Z)-3-ethyl-2-(p-tolylimino)thiazol-4-yl]benzenesulfonamide N,N-diethyl-4-[(2Z)-3-ethyl-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)	2.12	11.46	-33.56	1	5	1	53	430.619	8	↓ MOL2 SDF SMILES Flexibase

35633393

Analogs

36015089

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2Z)-2-(4-ethoxyphenyl)imino-3-(3-methoxypropyl)thiazol-4-yl]-N,N-diethyl-benzenesulfonamide 4-[(2Z)-2-(4-ethoxyphenyl)imino-…

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)	1.99	10.76	-36.7	1	7	1	72	504.698	13	↓ MOL2 SDF SMILES Flexibase

35633395

Analogs

34898269

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(2Z)-3-(3-methoxypropyl)-2-(p-tolylimino)thiazol-4-yl]benzenesulfonamide N,N-diethyl-4-[(2Z)-3-(3-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)	2.00	11.23	-35.81	1	6	1	63	474.672	11	↓ MOL2 SDF SMILES Flexibase

35633397

Analogs

35671041
35671044
39729367
39729459
34898275

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(2Z)-3-pentyl-2-(p-tolylimino)thiazol-4-yl]benzenesulfonamide N,N-diethyl-4-[(2Z)-3-pentyl-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)	3.69	13.71	-34.44	1	5	1	53	472.7	11	↓ MOL2 SDF SMILES Flexibase

35633399

Analogs

35633411
35671039

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2Z)-2-(4-ethoxyphenyl)imino-3-hexyl-thiazol-4-yl]-N,N-diethyl-benzenesulfonamide 4-[(2Z)-2-(4-ethoxyphenyl)imino-…

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	14.02	-36	1	6	1	63	516.753	14	↓ MOL2 SDF SMILES Flexibase

35633401

Analogs

35633409
35671037

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(2Z)-3-hexyl-2-(4-methoxyphenyl)imino-thiazol-4-yl]benzenesulfonamide N,N-diethyl-4-[(2Z)-3-hexyl-2-(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)	3.80	13.09	-36.13	1	6	1	63	502.726	13	↓ MOL2 SDF SMILES Flexibase

35633405

Analogs

39729423
39729426
39729429
35047526

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2Z)-3-allyl-2-(p-tolylimino)thiazol-4-yl]-N,N-diethyl-benzenesulfonamide 4-[(2Z)-3-allyl-2-(p-tolylimino)…

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)	2.39	11.98	-33.4	1	5	1	53	442.63	9	↓ MOL2 SDF SMILES Flexibase

35633409

Analogs

35671037
35633401

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(2Z)-2-(4-methoxyphenyl)imino-3-pentyl-thiazol-4-yl]benzenesulfonamide N,N-diethyl-4-[(2Z)-2-(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)	3.30	12.31	-35.95	1	6	1	63	488.699	12	↓ MOL2 SDF SMILES Flexibase

35633411

Analogs

35671039
35633399

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(2Z)-2-(4-ethoxyphenyl)imino-3-pentyl-thiazol-4-yl]-N,N-diethyl-benzenesulfonamide 4-[(2Z)-2-(4-ethoxyphenyl)imino-…

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)	3.67	13.24	-35.9	1	6	1	63	502.726	13	↓ MOL2 SDF SMILES Flexibase

35633414

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(2Z)-2-(4-methoxyphenyl)imino-3-propyl-thiazol-4-yl]benzenesulfonamide N,N-diethyl-4-[(2Z)-2-(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)	2.23	10.76	-35.3	1	6	1	63	460.645	10	↓ MOL2 SDF SMILES Flexibase

35633416

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N,N-diethyl-4-[(2Z)-2-(4-methoxyphenyl)imino-3-(3-methoxypropyl)thiazol-4-yl]benzenesulfonamide N,N-diethyl-4-[(2Z)-2-(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)	1.61	9.83	-36.85	1	7	1	72	490.671	12	↓ MOL2 SDF SMILES Flexibase

35633420

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(3-chloro-4-methoxy-phenyl)-3-(3-isopropoxypropyl)-N-phenyl-thiazol-2-imine 4-(3-chloro-4-methoxy-phenyl)-3-…

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	12.39	-29.01	1	4	1	34	417.982	9	↓ MOL2 SDF SMILES Flexibase

18941204

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methylsulfonylphenyl)-N-[2-(trifluoromethyl)phenyl]thiazol-2-amine 4-(4-methylsulfonylphenyl)-N-[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)	4.37	7.61	-16.25	1	4	0	59	398.431	5	↓ MOL2 SDF SMILES Flexibase

18941226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-methylsulfonylphenyl)-N-(m-tolyl)thiazol-2-amine 4-(4-methylsulfonylphenyl)-N-(m-…

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	7.11	-14.39	1	4	0	59	344.461	4	↓ MOL2 SDF SMILES Flexibase

18941228

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dimethylphenyl)-4-(4-methylsulfonylphenyl)thiazol-2-amine N-(2,5-dimethylphenyl)-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)	4.35	7.87	-14.46	1	4	0	59	358.488	4	↓ MOL2 SDF SMILES Flexibase

18941241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethylphenyl)-4-(4-methylsulfonylphenyl)thiazol-2-amine N-(3,5-dimethylphenyl)-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)	4.35	7.77	-14.44	1	4	0	59	358.488	4	↓ MOL2 SDF SMILES Flexibase

18941251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-4-(4-methylsulfonylphenyl)thiazol-2-amine N-(4-chlorophenyl)-4-(4-methylsu…

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	6.96	-14.28	1	4	0	59	364.879	4	↓ MOL2 SDF SMILES Flexibase

18941263

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-4-(4-methylsulfonylphenyl)thiazol-2-amine N-(3,4-dimethylphenyl)-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)	4.35	7.65	-14.42	1	4	0	59	358.488	4	↓ MOL2 SDF SMILES Flexibase

36215968

Analogs

36538435
37867925
39834971
39834972
39835046

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2Z)-4-(4-nitrophenyl)-2-phenylimino-thiazol-3-yl]propan-1-ol 3-[(2Z)-4-(4-nitrophenyl)-2-phen…

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)	0.83	9.06	-36.73	2	6	1	82	356.427	7	↓ MOL2 SDF SMILES Flexibase

36215970

Analogs

36538435
36538436

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2Z)-2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)thiazol-3-yl]propan-1-ol 3-[(2Z)-2-(2-methoxyphenyl)imino…

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)	0.84	8.33	-35.37	2	7	1	91	386.453	8	↓ MOL2 SDF SMILES Flexibase

36538434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2Z)-2-(4-methoxyphenyl)imino-4-(3-nitrophenyl)thiazol-3-yl]propan-1-ol 3-[(2Z)-2-(4-methoxyphenyl)imino…

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)	0.86	8.34	-36.74	2	7	1	91	386.453	8	↓ MOL2 SDF SMILES Flexibase

36538435

Analogs

36215968
36215970

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2Z)-2-(4-methoxyphenyl)imino-4-(4-nitrophenyl)thiazol-3-yl]propan-1-ol 3-[(2Z)-2-(4-methoxyphenyl)imino…

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)	0.89	8.35	-39.03	2	7	1	91	386.453	8	↓ MOL2 SDF SMILES Flexibase

36538436

Analogs

36215970

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(2Z)-2-(2-methoxyphenyl)imino-4-(3-nitrophenyl)thiazol-3-yl]propan-1-ol 3-[(2Z)-2-(2-methoxyphenyl)imino…

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)	0.82	8.32	-32.89	2	7	1	91	386.453	8	↓ MOL2 SDF SMILES Flexibase

36538438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z)-2-(2-methoxyphenyl)imino-4-(4-nitrophenyl)thiazol-3-yl]ethanol 2-[(2Z)-2-(2-methoxyphenyl)imino…

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)	0.57	7.6	-35.17	2	7	1	91	372.426	7	↓ MOL2 SDF SMILES Flexibase

36538440

Analogs

36541703

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z)-4-(3-nitrophenyl)-2-(p-tolylimino)thiazol-3-yl]ethanol 2-[(2Z)-4-(3-nitrophenyl)-2-(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)	0.98	9	-33.24	2	6	1	82	356.427	6	↓ MOL2 SDF SMILES Flexibase

36538442

Analogs

358447

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z)-4-(4-nitrophenyl)-2-(p-tolylimino)thiazol-3-yl]ethanol 2-[(2Z)-4-(4-nitrophenyl)-2-(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)	1.01	9.01	-36.14	2	6	1	82	356.427	6	↓ MOL2 SDF SMILES Flexibase

36538444

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z)-2-(2-methoxyphenyl)imino-4-(3-nitrophenyl)thiazol-3-yl]ethanol 2-[(2Z)-2-(2-methoxyphenyl)imino…

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)	0.54	7.59	-32.06	2	7	1	91	372.426	7	↓ MOL2 SDF SMILES Flexibase

36538446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z)-4-(4-nitrophenyl)-2-(o-tolylimino)thiazol-3-yl]ethanol 2-[(2Z)-4-(4-nitrophenyl)-2-(o-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)	0.96	9.11	-36.01	2	6	1	82	356.427	6	↓ MOL2 SDF SMILES Flexibase

36538448

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z)-4-(3-nitrophenyl)-2-(o-tolylimino)thiazol-3-yl]ethanol 2-[(2Z)-4-(3-nitrophenyl)-2-(o-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)	0.94	9.1	-33.05	2	6	1	82	356.427	6	↓ MOL2 SDF SMILES Flexibase

36541701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z)-2-(4-ethoxyphenyl)imino-4-(3-nitrophenyl)thiazol-3-yl]ethanol 2-[(2Z)-2-(4-ethoxyphenyl)imino-…

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)	0.97	8.55	-35.59	2	7	1	91	386.453	8	↓ MOL2 SDF SMILES Flexibase

36541703

Analogs

36538440

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2Z)-4-(3-nitrophenyl)-2-phenylimino-thiazol-3-yl]ethanol 2-[(2Z)-4-(3-nitrophenyl)-2-phen…

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)	0.54	8.33	-33.25	2	6	1	82	342.4	6	↓ MOL2 SDF SMILES Flexibase

12539721

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)	4.95	10.39	-10.74	1	5	0	60	354.431	7	↓ MOL2 SDF SMILES Flexibase

13425545

Analogs

26480380
1175552

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(2,4-dichlorophenyl)amino]-4-(2,5-dimethoxyphenyl)thiazol-5-yl]acetic 2-[2-[(2,4-dichlorophenyl)amino]…

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)	5.65	8.93	-54.39	1	6	-1	84	438.312	7	↓ MOL2 SDF SMILES Flexibase

58538494

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-hydroxy-5-[(2Z)-3-(2-methoxyethyl)-2-(3-methoxyphenyl)imino-thiazol-4-yl]benzamide 2-hydroxy-5-[(2Z)-3-(2-methoxyet…

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)	0.53	4.76	-39	4	7	1	98	400.48	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.53	5.77	-61.19	3	7	0	101	399.472	8	↓ MOL2 SDF SMILES Flexibase

948688

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-bromophenyl)-[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amine (4-bromophenyl)-[4-(3,4-dimethox…

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)	5.11	-0.5	-9.81	1	4	0	43	391.29	5	↓ MOL2 SDF SMILES Flexibase

948689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[4-(3,4-dimethoxyphenyl)thiazol-2-yl]amino]phenyl]-diethyl-amine [4-[[4-(3,4-dimethoxyphenyl)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)	5.16	0.77	-10.34	1	5	0	46	383.517	8	↓ MOL2 SDF SMILES Flexibase

948691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-[[4-(3,4-dichlorophenyl)thiazol-2-yl]amino]phenyl]ethanone 1-[3-[[4-(3,4-dichlorophenyl)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)	5.82	0.12	-9.64	1	3	0	41	363.269	4	↓ MOL2 SDF SMILES Flexibase

948692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[4-(3,4-dichlorophenyl)thiazol-2-yl]amino]benzoate 3-[[4-(3,4-dichlorophenyl)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)	5.83	-0.78	-48.17	1	4	-1	65	364.233	4	↓ MOL2 SDF SMILES Flexibase

948694

Analogs

34475259

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(diethylamino)phenyl]-N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]amine N-[4-(diethylamino)phenyl]-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)	5.57	0.45	-7.97	1	4	0	37	353.491	7	↓ MOL2 SDF SMILES Flexibase

948695

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(4-bromophenyl)thiazol-2-yl]amino]benzenesulfonamide 4-[[4-(4-bromophenyl)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)	4.16	-7.09	-13.15	3	5	0	85	410.318	4	↓ MOL2 SDF SMILES Flexibase

1132253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[4-(diethylamino)anilino]thiazol-4-yl]resorcinol 4-[2-[4-(diethylamino)anilino]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)	4.74	-3.07	-9.6	3	5	0	68	355.463	6	↓ MOL2 SDF SMILES Flexibase

1786917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-allyl-4-(4-methoxyphenyl)-5-methyl-thiazol-3-ium-2-yl]-(4-bromophenyl)amine [3-allyl-4-(4-methoxyphenyl)-5-m…

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	1.27	-25.95	1	3	1	25	416.364	6	↓ MOL2 SDF SMILES Flexibase

4550173

Analogs

34865845

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-(5-chloro-2-methyl-phenyl)aminothiazol-4-yl]benzene-1,2-diol 4-[2-(5-chloro-2-methyl-phenyl)a…

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	-3.29	-9.85	3	4	0	65	332.812	3	↓ MOL2 SDF SMILES Flexibase

4550850

Analogs

4568789
4607011
4912346
33785769
33792905

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[4-[2-(4-chlorophenyl)aminothiazol-4-yl]phenyl]amino-4-oxo-butanoic 4-[4-[2-(4-chlorophenyl)aminothi…

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)	4.30	-1.81	-50.63	2	6	-1	94	400.867	7	↓ MOL2 SDF SMILES Flexibase

4891144

Analogs

6386405
529386
3328229

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[2-(4-fluorophenyl)aminothiazol-4-yl]phenyl]pentanamide N-[4-[2-(4-fluorophenyl)aminothi…

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)	5.94	10.21	-13.91	2	4	0	54	369.465	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 19983
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 = 19983 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=19983&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": "19983"        

    });
</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