ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36104692

Analogs

16690024
16690025
16690093

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-[(3S)-3-methyl-1-piperidyl]-phenyl-methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(R)-[(3S)-3-methyl-1-…

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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)	4.04	10.14	-37.12	1	5	0	58	356.495	4	↓ MOL2 SDF SMILES Flexibase

36104695

Analogs

16690024
16690025
16690093

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-[(3S)-3-methyl-1-piperidyl]-phenyl-methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-[(3S)-3-methyl-1-…

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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)	4.04	10.14	-36.24	1	5	0	58	356.495	4	↓ MOL2 SDF SMILES Flexibase

36104698

Analogs

16690026
16690027
16690096

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(2-chlorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(R)-(2-chlorophenyl)-[(3S)-3-…

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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)	4.67	10.48	-39.35	1	5	0	58	390.94	4	↓ MOL2 SDF SMILES Flexibase

36104700

Analogs

16690026
16690027
16690096

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(2-chlorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(S)-(2-chlorophenyl)-[(3S)-3-…

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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)	4.67	10.52	-38.01	1	5	0	58	390.94	4	↓ MOL2 SDF SMILES Flexibase

36104702

Analogs

16690028
16690029
16690099

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(3-chlorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(R)-(3-chlorophenyl)-[(3S)-3-…

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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)	4.69	10.64	-39.37	1	5	0	58	390.94	4	↓ MOL2 SDF SMILES Flexibase

36104705

Analogs

16690028
16690029
16690099

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(3-chlorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(S)-(3-chlorophenyl)-[(3S)-3-…

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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)	4.69	10.65	-38.46	1	5	0	58	390.94	4	↓ MOL2 SDF SMILES Flexibase

36104708

Analogs

16690030
16690031
16690102

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(4-chlorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(R)-(4-chlorophenyl)-[(3S)-3-…

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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	10.65	-37.26	1	5	0	58	390.94	4	↓ MOL2 SDF SMILES Flexibase

36104711

Analogs

16690030
16690031
16690102

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(4-chlorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(S)-(4-chlorophenyl)-[(3S)-3-…

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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	10.66	-36.31	1	5	0	58	390.94	4	↓ MOL2 SDF SMILES Flexibase

36104714

Analogs

16690036
16690037
16690105

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-(2-fluorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(R)-(2-fluorophenyl)-…

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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	10.07	-44.1	1	5	0	58	374.485	4	↓ MOL2 SDF SMILES Flexibase

36104716

Analogs

16690036
16690037
16690105

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-(2-fluorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-(2-fluorophenyl)-…

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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	10.12	-42.61	1	5	0	58	374.485	4	↓ MOL2 SDF SMILES Flexibase

36104719

Analogs

16690038
16690039
16690108

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-(3-fluorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(R)-(3-fluorophenyl)-…

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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)	4.18	10.21	-40.4	1	5	0	58	374.485	4	↓ MOL2 SDF SMILES Flexibase

36104722

Analogs

16690038
16690039
16690108

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-(3-fluorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-(3-fluorophenyl)-…

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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)	4.18	10.2	-39.51	1	5	0	58	374.485	4	↓ MOL2 SDF SMILES Flexibase

36104724

Analogs

16690040
16690041
16690111

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-(4-fluorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(R)-(4-fluorophenyl)-…

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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)	4.20	10.2	-37.82	1	5	0	58	374.485	4	↓ MOL2 SDF SMILES Flexibase

36104727

Analogs

16690040
16690041
16690111

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-(4-fluorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-(4-fluorophenyl)-…

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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)	4.20	10.2	-36.94	1	5	0	58	374.485	4	↓ MOL2 SDF SMILES Flexibase

36104735

Analogs

16690042
16690043
16690114

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-[(3S)-3-methyl-1-piperidyl]-(m-tolyl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(R)-[(3S)-3-methyl-1-…

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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)	4.46	10.81	-37.18	1	5	0	58	370.522	4	↓ MOL2 SDF SMILES Flexibase

36104737

Analogs

16690042
16690043
16690114

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-[(3S)-3-methyl-1-piperidyl]-(m-tolyl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-[(3S)-3-methyl-1-…

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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)	4.46	10.8	-36.35	1	5	0	58	370.522	4	↓ MOL2 SDF SMILES Flexibase

36104740

Analogs

16690044
16690045
16690046
16690047
16690117

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-[(3S)-3-methyl-1-piperidyl]-(p-tolyl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(R)-[(3S)-3-methyl-1-…

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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	10.82	-36.97	1	5	0	58	370.522	4	↓ MOL2 SDF SMILES Flexibase

36104742

Analogs

16690044
16690045
16690046
16690047
16690117

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-[(3S)-3-methyl-1-piperidyl]-(p-tolyl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-[(3S)-3-methyl-1-…

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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	10.81	-36.14	1	5	0	58	370.522	4	↓ MOL2 SDF SMILES Flexibase

36104745

Analogs

16690044
16690045
16690046
16690047
16690117

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-(4-ethylphenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-(4-ethylphenyl)-[…

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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)	4.95	11.59	-36.18	1	5	0	58	384.549	5	↓ MOL2 SDF SMILES Flexibase

36104747

Analogs

16690044
16690045
16690046
16690047
16690117

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-(4-ethylphenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(R)-(4-ethylphenyl)-[…

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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)	4.95	11.58	-36.82	1	5	0	58	384.549	5	↓ MOL2 SDF SMILES Flexibase

36104750

Analogs

16690052
16690053
16690120

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-(3-methoxyphenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-o 2-ethyl-5-[(R)-(3-methoxyphenyl)…

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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)	4.07	9.43	-40.26	1	6	0	67	386.521	5	↓ MOL2 SDF SMILES Flexibase

36104752

Analogs

16690052
16690053
16690120

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-(3-methoxyphenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-o 2-ethyl-5-[(S)-(3-methoxyphenyl)…

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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)	4.07	9.42	-39.36	1	6	0	67	386.521	5	↓ MOL2 SDF SMILES Flexibase

36104754

Analogs

16690054
16690055
16690123

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-(4-methoxyphenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-o 2-ethyl-5-[(R)-(4-methoxyphenyl)…

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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	9.43	-37.61	1	6	0	67	386.521	5	↓ MOL2 SDF SMILES Flexibase

36104757

Analogs

16690054
16690055
16690123

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-(4-methoxyphenyl)-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-o 2-ethyl-5-[(S)-(4-methoxyphenyl)…

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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	9.42	-36.79	1	6	0	67	386.521	5	↓ MOL2 SDF SMILES Flexibase

36104760

Analogs

16690056
16690057
16690126

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(4-ethoxyphenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(R)-(4-ethoxyphenyl)-[(3S)-3-…

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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)	4.47	10.36	-37.39	1	6	0	67	400.548	6	↓ MOL2 SDF SMILES Flexibase

36104762

Analogs

16690056
16690057
16690126

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(4-ethoxyphenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-o 5-[(S)-(4-ethoxyphenyl)-[(3S)-3-…

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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)	4.47	10.36	-36.64	1	6	0	67	400.548	6	↓ MOL2 SDF SMILES Flexibase

36104764

Analogs

16690058
16690059
16690129

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(3,4-difluorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol 5-[(R)-(3,4-difluorophenyl)-[(3S…

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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)	4.29	10.25	-41.53	1	5	0	58	392.475	4	↓ MOL2 SDF SMILES Flexibase

36104767

Analogs

16690058
16690059
16690129

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(3,4-difluorophenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol 5-[(S)-(3,4-difluorophenyl)-[(3S…

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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)	4.29	10.26	-40.61	1	5	0	58	392.475	4	↓ MOL2 SDF SMILES Flexibase

36104770

Analogs

36370453
36370454
16690060
16690061
16690132

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(3,4-dimethoxyphenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazo 5-[(R)-(3,4-dimethoxyphenyl)-[(3…

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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)	3.68	9.33	-40.96	1	7	0	76	416.547	6	↓ MOL2 SDF SMILES Flexibase

36104771

Analogs

36370453
36370454
16690060
16690061
16690132

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(3,4-dimethoxyphenyl)-[(3S)-3-methyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazo 5-[(S)-(3,4-dimethoxyphenyl)-[(3…

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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)	3.68	9.34	-40.13	1	7	0	76	416.547	6	↓ MOL2 SDF SMILES Flexibase

36104774

Analogs

16690062
16690063
16690136

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-[(3S)-3-methyl-1-piperidyl]-(2-thienyl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(R)-[(3S)-3-methyl-1-…

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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)	3.94	9.22	-34.65	1	5	0	58	362.524	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.94	7.02	-49.38	0	5	-1	56	361.516	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.94	6.31	-6.05	1	5	0	54	362.524	4	↓ MOL2 SDF SMILES Flexibase

36104776

Analogs

16690062
16690063
16690136

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-[(3S)-3-methyl-1-piperidyl]-(2-thienyl)methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-[(3S)-3-methyl-1-…

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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)	3.94	9.23	-33.92	1	5	0	58	362.524	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.94	7.03	-49.06	0	5	-1	56	361.516	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.94	6.32	-6.02	1	5	0	54	362.524	4	↓ MOL2 SDF SMILES Flexibase

36104779

Analogs

16690064
16690065
16690139

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(R)-2-furyl-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(R)-2-furyl-[(3S)-3-m…

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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)	3.29	8.25	-35.17	1	6	0	71	346.456	4	↓ MOL2 SDF SMILES Flexibase

36104782

Analogs

16690064
16690065
16690139

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethyl-5-[(S)-2-furyl-[(3S)-3-methyl-1-piperidyl]methyl]thiazolo[2,3-e][1,2,4]triazol-6-ol 2-ethyl-5-[(S)-2-furyl-[(3S)-3-m…

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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)	3.29	8.25	-34.41	1	6	0	71	346.456	4	↓ MOL2 SDF SMILES Flexibase

36104787

Analogs

16690079

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	3.80	7.93	-56.83	0	7	-1	83	419.552	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.80	7.22	-10.15	1	7	0	80	420.56	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.80	10.14	-43.32	1	7	0	84	420.56	7	↓ MOL2 SDF SMILES Flexibase

36104789

Analogs

16690080

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	3.16	9.17	-43.87	1	8	0	97	404.492	7	↓ MOL2 SDF SMILES Flexibase

36104793

Analogs

16690024
16690025
16690093

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-[(3S,5S)-3,5-dimethyl-1-piperidyl]-phenyl-methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-ol 5-[(S)-[(3S,5S)-3,5-dimethyl-1-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)	4.51	10.74	-35.13	1	5	0	58	370.522	4	↓ MOL2 SDF SMILES Flexibase

36104796

Analogs

16690024
16690025
16690093

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-[(3S,5S)-3,5-dimethyl-1-piperidyl]-phenyl-methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]triazol-6-ol 5-[(R)-[(3S,5S)-3,5-dimethyl-1-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)	4.51	10.73	-35.51	1	5	0	58	370.522	4	↓ MOL2 SDF SMILES Flexibase

36104799

Analogs

16690026
16690027
16690096

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(2-chlorophenyl)-[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(S)-(2-chlorophenyl)-[(3S,5S)…

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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)	5.14	11.12	-36.77	1	5	0	58	404.967	4	↓ MOL2 SDF SMILES Flexibase

36104802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(2-chlorophenyl)-[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(R)-(2-chlorophenyl)-[(3S,5S)…

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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)	5.14	11.04	-37.19	1	5	0	58	404.967	4	↓ MOL2 SDF SMILES Flexibase

36104805

Analogs

16690028
16690029
16690099

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(3-chlorophenyl)-[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(S)-(3-chlorophenyl)-[(3S,5S)…

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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)	5.17	11.25	-37.18	1	5	0	58	404.967	4	↓ MOL2 SDF SMILES Flexibase

36104806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(3-chlorophenyl)-[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(R)-(3-chlorophenyl)-[(3S,5S)…

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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)	5.17	11.25	-37.54	1	5	0	58	404.967	4	↓ MOL2 SDF SMILES Flexibase

36104809

Analogs

16690030
16690031
16690102

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-(4-chlorophenyl)-[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(S)-(4-chlorophenyl)-[(3S,5S)…

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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)	5.19	11.26	-35.12	1	5	0	58	404.967	4	↓ MOL2 SDF SMILES Flexibase

36104812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-(4-chlorophenyl)-[(3S,5S)-3,5-dimethyl-1-piperidyl]methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(R)-(4-chlorophenyl)-[(3S,5S)…

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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)	5.19	11.25	-35.51	1	5	0	58	404.967	4	↓ MOL2 SDF SMILES Flexibase

36104814

Analogs

16690036
16690037
16690105

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-[(3S,5S)-3,5-dimethyl-1-piperidyl]-(2-fluorophenyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(S)-[(3S,5S)-3,5-dimethyl-1-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)	4.63	10.71	-41.23	1	5	0	58	388.512	4	↓ MOL2 SDF SMILES Flexibase

36104817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-[(3S,5S)-3,5-dimethyl-1-piperidyl]-(2-fluorophenyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(R)-[(3S,5S)-3,5-dimethyl-1-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)	4.63	10.62	-41.75	1	5	0	58	388.512	4	↓ MOL2 SDF SMILES Flexibase

36104819

Analogs

16690038
16690039
16690108

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-[(3S,5S)-3,5-dimethyl-1-piperidyl]-(3-fluorophenyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(S)-[(3S,5S)-3,5-dimethyl-1-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)	4.65	10.81	-38.17	1	5	0	58	388.512	4	↓ MOL2 SDF SMILES Flexibase

36104822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-[(3S,5S)-3,5-dimethyl-1-piperidyl]-(3-fluorophenyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(R)-[(3S,5S)-3,5-dimethyl-1-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)	4.65	10.81	-38.44	1	5	0	58	388.512	4	↓ MOL2 SDF SMILES Flexibase

36104824

Analogs

16690040
16690041
16690111

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(S)-[(3S,5S)-3,5-dimethyl-1-piperidyl]-(4-fluorophenyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(S)-[(3S,5S)-3,5-dimethyl-1-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)	4.68	10.81	-35.7	1	5	0	58	388.512	4	↓ MOL2 SDF SMILES Flexibase

36104827

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(R)-[(3S,5S)-3,5-dimethyl-1-piperidyl]-(4-fluorophenyl)methyl]-2-ethyl-thiazolo[2,3-e][1,2,4]tria 5-[(R)-[(3S,5S)-3,5-dimethyl-1-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)	4.68	10.8	-36.07	1	5	0	58	388.512	4	↓ 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

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