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ZINC Item

Suppliers, Protomers, & Similar Substances

11797983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[3-[2-(2-methoxyphenoxy)ethoxy]phenyl]thiazole-5-carboxylic 4-ethyl-2-[3-[2-(2-methoxyphenox…

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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)	4.72	-0.19	-58.94	0	6	-1	81	398.46	9	↓ MOL2 SDF SMILES Flexibase

11798120

Analogs

11951554
11954653
11960580

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(2,6-dimethylphenoxy)ethoxy]-4-methoxy-phenyl]thiazole-4-carboxylic 2-[3-[2-(2,6-dimethylphenoxy)eth…

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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)	4.73	0.49	-58.55	0	6	-1	81	398.46	8	↓ MOL2 SDF SMILES Flexibase

11798233

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-[2-(4-fluorophenoxy)ethoxy]phenyl]thiazol-4-yl]acetic 2-[2-[3-[2-(4-fluorophenoxy)etho…

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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)	4.33	0.49	-58.28	0	5	-1	71	372.397	8	↓ MOL2 SDF SMILES Flexibase

11798398

Analogs

11961118

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(3,4-dimethylphenoxy)ethoxy]-4-methoxy-phenyl]thiazole-4-carboxylic 2-[3-[2-(3,4-dimethylphenoxy)eth…

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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)	4.75	0.25	-59.39	0	6	-1	81	398.46	8	↓ MOL2 SDF SMILES Flexibase

11801978

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(2-allylphenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[3-[2-(2-allylphenoxy)ethoxy]p…

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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)	5.09	0.36	-59.2	0	5	-1	71	380.445	9	↓ MOL2 SDF SMILES Flexibase

11802167

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(4-propylphenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[3-[2-(4-propylphenoxy)ethoxy]…

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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)	5.62	-0.07	-59.07	0	5	-1	71	382.461	9	↓ MOL2 SDF SMILES Flexibase

11802285

Analogs

32104309

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(4-methylphenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[3-[2-(4-methylphenoxy)ethoxy]…

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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)	4.76	-0.35	-59.32	0	5	-1	71	354.407	7	↓ MOL2 SDF SMILES Flexibase

11802848

Analogs

11958717

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[3-[2-(2-methylphenoxy)ethoxy]phenyl]thiazole-5-carboxylic 4-ethyl-2-[3-[2-(2-methylphenoxy…

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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)	5.51	-0.12	-55.66	0	5	-1	71	382.461	8	↓ MOL2 SDF SMILES Flexibase

11802857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic 2-[3-[2-(3,5-dimethylphenoxy)eth…

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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)	5.36	0.01	-55.55	0	5	-1	71	382.461	7	↓ MOL2 SDF SMILES Flexibase

11803111

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(2,3-dimethylphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic 2-[3-[2-(2,3-dimethylphenoxy)eth…

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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)	5.34	-0.01	-55.31	0	5	-1	71	382.461	7	↓ MOL2 SDF SMILES Flexibase

11803238

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-[2-(3,5-dimethylphenoxy)ethoxy]phenyl]thiazol-4-yl]acetic 2-[2-[3-[2-(3,5-dimethylphenoxy)…

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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)	4.99	0.4	-58.6	0	5	-1	71	382.461	8	↓ MOL2 SDF SMILES Flexibase

11803325

Analogs

11957112
11958599

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methoxy-3-(2-phenoxyethoxy)phenyl]-4-methyl-thiazole-5-carboxylic 2-[4-methoxy-3-(2-phenoxyethoxy)…

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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)	4.15	-0.29	-52.84	0	6	-1	81	384.433	8	↓ MOL2 SDF SMILES Flexibase

11803518

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-[2-(2,3-dimethylphenoxy)ethoxy]phenyl]thiazol-4-yl]acetic 2-[2-[3-[2-(2,3-dimethylphenoxy)…

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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	0.38	-58.44	0	5	-1	71	382.461	8	↓ MOL2 SDF SMILES Flexibase

11804191

Analogs

11950886
11954013
11954653

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-methoxy-3-[2-(2-methylphenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[4-methoxy-3-[2-(2-methylpheno…

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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)	4.33	0.04	-58.99	0	6	-1	81	384.433	8	↓ MOL2 SDF SMILES Flexibase

11804192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-(2-phenoxyethoxy)phenyl]thiazol-4-yl]acetic 2-[2-[3-(2-phenoxyethoxy)phenyl]…

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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	-0.24	-58.37	0	5	-1	71	354.407	8	↓ MOL2 SDF SMILES Flexibase

11822228

Analogs

11994104

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(2,3,5-trimethylphenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[3-[2-(2,3,5-trimethylphenoxy)…

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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)	5.51	0.34	-59.52	0	5	-1	71	382.461	7	↓ MOL2 SDF SMILES Flexibase

11823412

Analogs

11951840

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-[2-(2-methoxyphenoxy)ethoxy]phenyl]thiazol-4-yl]acetic 2-[2-[3-[2-(2-methoxyphenoxy)eth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	0.09	-61.39	0	6	-1	81	384.433	9	↓ MOL2 SDF SMILES Flexibase

11824107

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[3-[2-(4-fluorophenoxy)ethoxy]phenyl]thiazole-5-carboxylic 4-ethyl-2-[3-[2-(4-fluorophenoxy…

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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)	5.27	0.21	-55.63	0	5	-1	71	386.424	8	↓ MOL2 SDF SMILES Flexibase

11824682

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic 2-[3-[2-(4-methoxyphenoxy)ethoxy…

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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)	4.59	-0.64	-56.34	0	6	-1	81	384.433	8	↓ MOL2 SDF SMILES Flexibase

11825003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(4-fluorophenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[3-[2-(4-fluorophenoxy)ethoxy]…

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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	0.06	-59.45	0	5	-1	71	358.37	7	↓ MOL2 SDF SMILES Flexibase

11827316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-[2-(4-chlorophenoxy)ethoxy]phenyl]thiazol-4-yl]acetic 2-[2-[3-[2-(4-chlorophenoxy)etho…

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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)	4.84	-0.39	-57.82	0	5	-1	71	388.852	8	↓ MOL2 SDF SMILES Flexibase

11828116

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(2-chlorophenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic 2-[3-[2-(2-chlorophenoxy)ethoxy]…

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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	-0.73	-57.16	0	5	-1	71	388.852	7	↓ MOL2 SDF SMILES Flexibase

11829574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(4-chloro-3-methyl-phenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[3-[2-(4-chloro-3-methyl-pheno…

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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)	5.37	-0.51	-59.04	0	5	-1	71	388.852	7	↓ MOL2 SDF SMILES Flexibase

11830442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-[2-(2-allylphenoxy)ethoxy]phenyl]thiazol-4-yl]acetic 2-[2-[3-[2-(2-allylphenoxy)ethox…

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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)	4.94	0.79	-58.22	0	5	-1	71	394.472	10	↓ MOL2 SDF SMILES Flexibase

11831443

Analogs

11957979
11993157

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[3-(2-phenoxyethoxy)phenyl]thiazole-5-carboxylic 4-ethyl-2-[3-(2-phenoxyethoxy)ph…

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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	-0.52	-55.83	0	5	-1	71	368.434	8	↓ MOL2 SDF SMILES Flexibase

11833579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-[2-(2-isopropylphenoxy)ethoxy]phenyl]thiazol-4-yl]acetic 2-[2-[3-[2-(2-isopropylphenoxy)e…

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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	0.67	-58.16	0	5	-1	71	396.488	9	↓ MOL2 SDF SMILES Flexibase

11833762

Analogs

11954902

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]thiazole-5-carboxylic 4-methyl-2-[3-[2-(2,3,6-trimethy…

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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)	5.74	0.51	-54.71	0	5	-1	71	396.488	7	↓ MOL2 SDF SMILES Flexibase

11833783

Analogs

11993159

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-2-[3-[2-(2-methylphenoxy)ethoxy]phenyl]thiazole-5-carboxylic 4-methyl-2-[3-[2-(2-methylphenox…

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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)	4.93	-0.24	-55.08	0	5	-1	71	368.434	7	↓ MOL2 SDF SMILES Flexibase

11992949

Analogs

11863373
11949265

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(2-methylphenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[3-[2-(2-methylphenoxy)ethoxy]…

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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)	4.71	-0.27	-59.26	0	5	-1	71	354.407	7	↓ MOL2 SDF SMILES Flexibase

11993157

Analogs

11957979
11831443

Draw Identity 99% 90% 80% 70%

Popular Name: 4-ethyl-2-[3-[2-(3-methylphenoxy)ethoxy]phenyl]thiazole-5-carboxylic 4-ethyl-2-[3-[2-(3-methylphenoxy…

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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)	5.53	-0.2	-56.02	0	5	-1	71	382.461	8	↓ MOL2 SDF SMILES Flexibase

11993159

Analogs

11833783

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic 2-[3-[2-(2,6-dimethylphenoxy)eth…

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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)	5.34	0.22	-54.59	0	5	-1	71	382.461	7	↓ MOL2 SDF SMILES Flexibase

11993286

Analogs

11954956

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic 2-[3-[2-(3,4-dimethylphenoxy)eth…

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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)	5.36	-0.03	-55.65	0	5	-1	71	382.461	7	↓ MOL2 SDF SMILES Flexibase

11993355

Analogs

11958041

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-[2-(2,6-dimethylphenoxy)ethoxy]phenyl]thiazol-4-yl]acetic 2-[2-[3-[2-(2,6-dimethylphenoxy)…

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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	0.61	-57.81	0	5	-1	71	382.461	8	↓ MOL2 SDF SMILES Flexibase

11993484

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[3-[2-(3,4-dimethylphenoxy)ethoxy]phenyl]thiazol-4-yl]acetic 2-[2-[3-[2-(3,4-dimethylphenoxy)…

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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)	4.99	0.37	-58.75	0	5	-1	71	382.461	8	↓ MOL2 SDF SMILES Flexibase

11993811

Analogs

11952188
11955859
11993532

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Popular Name: 2-[4-methoxy-3-[2-(3-methylphenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[4-methoxy-3-[2-(3-methylpheno…

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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	-0.04	-59.34	0	6	-1	81	384.433	8	↓ MOL2 SDF SMILES Flexibase

11994084

Analogs

32104309
11956521

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Popular Name: 2-[3-[2-(2-ethoxyphenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[3-[2-(2-ethoxyphenoxy)ethoxy]…

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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	-0.33	-62.23	0	6	-1	81	384.433	9	↓ MOL2 SDF SMILES Flexibase

11994104

Analogs

11822228

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Popular Name: 2-[3-[2-(2,3,6-trimethylphenoxy)ethoxy]phenyl]thiazole-4-carboxylic 2-[3-[2-(2,3,6-trimethylphenoxy)…

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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)	5.51	0.47	-58.89	0	5	-1	71	382.461	7	↓ MOL2 SDF SMILES Flexibase

11994312

Analogs

11894285

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Popular Name: 2-[3-[2-(4-fluorophenoxy)ethoxy]-4-methoxy-phenyl]thiazole-4-carboxylic 2-[3-[2-(4-fluorophenoxy)ethoxy]…

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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	0.37	-58.9	0	6	-1	81	388.396	8	↓ MOL2 SDF SMILES Flexibase

11994351

Analogs

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Popular Name: 2-[2-[3-[2-(4-methoxyphenoxy)ethoxy]phenyl]thiazol-4-yl]acetic 2-[2-[3-[2-(4-methoxyphenoxy)eth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.22	-0.24	-59.43	0	6	-1	81	384.433	9	↓ MOL2 SDF SMILES Flexibase

11994802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[3-[2-(3-methoxyphenoxy)ethoxy]phenyl]-4-methyl-thiazole-5-carboxylic 2-[3-[2-(3-methoxyphenoxy)ethoxy…

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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)	4.57	-0.62	-58.09	0	6	-1	81	384.433	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 41703 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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