ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

11535846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-[1,3]Thiazolo[5,4-{b}]pyridin-2-ylphenyl)amine (4-[1,3]Thiazolo[5,4-{b}]pyridin…

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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)	2.47	-3.22	-10.42	2	3	0	52	227.292	1	↓ MOL2 SDF SMILES Flexibase

21541026

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-sec-butyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-sec-butyl-1-thiazolo[5,4-b]pyr…

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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)	2.79	5.4	-15.93	1	5	0	58	318.446	4	↓ MOL2 SDF SMILES Flexibase

21541028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-sec-butyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-sec-butyl-1-thiazolo[5,4-b]pyr…

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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)	2.79	5.41	-15.92	1	5	0	58	318.446	4	↓ MOL2 SDF SMILES Flexibase

21541030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-isopropyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-isopropyl-1-thiazolo[5,4-b]pyr…

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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)	2.25	4.45	-15.96	1	5	0	58	304.419	3	↓ MOL2 SDF SMILES Flexibase

21541032

Analogs

20996227
15770068
15770089
15770171

Draw Identity 99% 90% 80% 70%

Popular Name: N-propyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-propyl-1-thiazolo[5,4-b]pyridi…

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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)	2.46	4.38	-16.07	1	5	0	58	304.419	4	↓ MOL2 SDF SMILES Flexibase

21541034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-cyclopropyl-1-thiazolo[5,4-b]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)	1.94	4.56	-15.69	1	5	0	58	302.403	3	↓ MOL2 SDF SMILES Flexibase

21541036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methoxyethyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-(2-methoxyethyl)-1-thiazolo[5,…

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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)	1.56	2.7	-16.03	1	6	0	67	320.418	5	↓ MOL2 SDF SMILES Flexibase

21541038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-allyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-4-carboxamide N-allyl-1-thiazolo[5,4-b]pyridin…

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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)	2.22	4.2	-15.71	1	5	0	58	302.403	4	↓ MOL2 SDF SMILES Flexibase

21541040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-isopropyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-isopropyl-1-thiazolo[5,4-…

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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)	2.25	4.43	-13.3	1	5	0	58	304.419	3	↓ MOL2 SDF SMILES Flexibase

21541042

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-isopropyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3S)-N-isopropyl-1-thiazolo[5,4-…

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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)	2.25	4.43	-13.34	1	5	0	58	304.419	3	↓ MOL2 SDF SMILES Flexibase

21541044

Analogs

15770363
15770365
15770378
15770380
15770410

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-propyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-propyl-1-thiazolo[5,4-b]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)	2.46	4.36	-13.34	1	5	0	58	304.419	4	↓ MOL2 SDF SMILES Flexibase

21541046

Analogs

15770378
15770380
15770410
15770412

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-propyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3S)-N-propyl-1-thiazolo[5,4-b]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)	2.46	4.36	-13.34	1	5	0	58	304.419	4	↓ MOL2 SDF SMILES Flexibase

36638239

Analogs

4232446

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-4-thiazolo[5,4-b]pyridin-2-yl-phenyl)-2,1,3-benzothiadiazole-5-carboxamide N-(2-methyl-4-thiazolo[5,4-b]pyr…

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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	6.97	-17.88	1	6	0	81	403.492	3	↓ MOL2 SDF SMILES Flexibase

36638240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-methyl-3-thiazolo[5,4-b]pyridin-2-yl-phenyl)benzofuran-2-carboxamide N-(2-methyl-3-thiazolo[5,4-b]pyr…

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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)	5.20	9.23	-12.81	1	5	0	68	385.448	3	↓ MOL2 SDF SMILES Flexibase

58314023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2-butyl-4-methyl-thiazol-5-yl)-(4-thiazolo[5,4-b]pyridin-2-ylpiperazin-1-yl)methanone (2-butyl-4-methyl-thiazol-5-yl)-…

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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)	3.36	8.54	-13.53	0	6	0	62	401.561	5	↓ MOL2 SDF SMILES Flexibase

58323826

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-cyclopentyl-1-(4-thiazolo[5,4-b]pyridin-2-ylpiperazin-1-yl)ethanone 2-cyclopentyl-1-(4-thiazolo[5,4-…

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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)	2.96	8.33	-14	0	5	0	49	330.457	3	↓ MOL2 SDF SMILES Flexibase

58327667

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(o-tolylmethyl)piperazin-1-yl]thiazolo[5,4-b]pyridine 2-[4-(o-tolylmethyl)piperazin-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)	3.39	8.26	-9.14	0	4	0	32	324.453	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.39	10.13	-48.11	1	4	1	33	325.461	3	↓ MOL2 SDF SMILES Flexibase

58344055

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-difluoroanilino)-2-oxo-ethyl]-2-(4-thiazolo[5,4-b]pyridin-2-ylpiperazin-1-yl)acetamide N-[2-(3,4-difluoroanilino)-2-oxo…

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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)	2.62	4.47	-19.72	2	8	0	90	446.483	6	↓ MOL2 SDF SMILES Flexibase

69457105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-methoxyphenyl)-2-phenyl-2-(4-thiazolo[5,4-b]pyridin-2-ylpiperazin-1-yl)acetamide (2R)-N-(4-methoxyphenyl)-2-pheny…

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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)	4.03	8.93	-14.42	1	7	0	71	459.575	6	↓ MOL2 SDF SMILES Flexibase

69457108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-methoxyphenyl)-2-phenyl-2-(4-thiazolo[5,4-b]pyridin-2-ylpiperazin-1-yl)acetamide (2S)-N-(4-methoxyphenyl)-2-pheny…

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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)	4.03	8.79	-14.73	1	7	0	71	459.575	6	↓ MOL2 SDF SMILES Flexibase

69487603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3-methyl-2-furyl)-(4-thiazolo[5,4-b]pyridin-2-ylpiperazin-1-yl)methanone (3-methyl-2-furyl)-(4-thiazolo[5…

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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)	2.26	6.69	-13.25	0	6	0	62	328.397	2	↓ MOL2 SDF SMILES Flexibase

69570067

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,5-dimethylisoxazol-4-yl)-(4-thiazolo[5,4-b]pyridin-2-ylpiperazin-1-yl)methanone (3,5-dimethylisoxazol-4-yl)-(4-t…

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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)	1.01	6.38	-14.87	0	7	0	75	343.412	2	↓ MOL2 SDF SMILES Flexibase

69659754

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4-thiazolo[5,4-b]pyridin-2-ylpiperazin-1-yl)-(3-thienyl)methanone (4-thiazolo[5,4-b]pyridin-2-ylpi…

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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)	1.74	6.66	-13.95	0	5	0	49	330.438	2	↓ MOL2 SDF SMILES Flexibase

65320205

Analogs

35504968
35504971
35504974
35514884
35514891

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-4-thiazolo[5,4-b]pyridin-2-yl-1,4-diazepane-1-carboxamide N-(3-chloro-4-fluoro-phenyl)-4-t…

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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)	3.98	9.29	-14.99	1	6	0	61	405.886	2	↓ MOL2 SDF SMILES Flexibase

65320206

Analogs

35504974
35514884
35514891

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)	3.62	11.13	-19.26	1	8	0	88	439.541	6	↓ MOL2 SDF SMILES Flexibase

65330690

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: azepan-1-yl-[(3S)-1-thiazolo[5,4-b]pyridin-2-yl-3-piperidyl]methanone azepan-1-yl-[(3S)-1-thiazolo[5,4…

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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)	3.23	9.04	-11.05	0	5	0	49	344.484	2	↓ MOL2 SDF SMILES Flexibase

65330691

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: azepan-1-yl-[(3R)-1-thiazolo[5,4-b]pyridin-2-yl-3-piperidyl]methanone azepan-1-yl-[(3R)-1-thiazolo[5,4…

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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)	3.23	9.07	-11.15	0	5	0	49	344.484	2	↓ MOL2 SDF SMILES Flexibase

65330692

Analogs

15770424
15770426

Draw Identity 99% 90% 80% 70%

Popular Name: (4-benzylpiperazin-1-yl)-[(3R)-1-thiazolo[5,4-b]pyridin-2-yl-3-piperidyl]methanone (4-benzylpiperazin-1-yl)-[(3R)-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)	3.11	9.21	-12.15	0	6	0	53	421.57	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.11	11.41	-51.11	1	6	1	54	422.578	4	↓ MOL2 SDF SMILES Flexibase

65330693

Analogs

15770424
15770426

Draw Identity 99% 90% 80% 70%

Popular Name: (4-benzylpiperazin-1-yl)-[(3S)-1-thiazolo[5,4-b]pyridin-2-yl-3-piperidyl]methanone (4-benzylpiperazin-1-yl)-[(3S)-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)	3.11	9.25	-11.77	0	6	0	53	421.57	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.11	11.46	-50.07	1	6	1	54	422.578	4	↓ MOL2 SDF SMILES Flexibase

65330694

Analogs

35505087
35505091
20996374
20996372

Draw Identity 99% 90% 80% 70%

Popular Name: (4-propylpiperazin-1-yl)-[(3R)-1-thiazolo[5,4-b]pyridin-2-yl-3-piperidyl]methanone (4-propylpiperazin-1-yl)-[(3R)-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)	2.59	9.25	-47.87	1	6	1	54	374.534	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.59	7.03	-10.93	0	6	0	53	373.526	4	↓ MOL2 SDF SMILES Flexibase

65330695

Analogs

35505087
35505091
20996374
20996372

Draw Identity 99% 90% 80% 70%

Popular Name: (4-propylpiperazin-1-yl)-[(3S)-1-thiazolo[5,4-b]pyridin-2-yl-3-piperidyl]methanone (4-propylpiperazin-1-yl)-[(3S)-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)	2.59	9.31	-47.53	1	6	1	54	374.534	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.59	7.09	-11	0	6	0	53	373.526	4	↓ MOL2 SDF SMILES Flexibase

65330696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[(3S)-1-thiazolo[5,4-b]pyridin-2-yl-3-piperidyl]methanone [4-(furan-2-carbonyl)piperazin-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)	2.00	7.93	-16.28	0	8	0	83	425.514	3	↓ MOL2 SDF SMILES Flexibase

65330697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-(furan-2-carbonyl)piperazin-1-yl]-[(3R)-1-thiazolo[5,4-b]pyridin-2-yl-3-piperidyl]methanone [4-(furan-2-carbonyl)piperazin-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)	2.00	7.94	-19.51	0	8	0	83	425.514	3	↓ MOL2 SDF SMILES Flexibase

65330698

Analogs

9725121
9725128

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2-furylmethyl)-N-methyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-(2-furylmethyl)-N-methyl-…

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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)	2.48	7.99	-13.21	0	6	0	62	356.451	4	↓ MOL2 SDF SMILES Flexibase

65330699

Analogs

9725121
9725128

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2-furylmethyl)-N-methyl-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3S)-N-(2-furylmethyl)-N-methyl-…

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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)	2.48	8.06	-12.9	0	6	0	62	356.451	4	↓ MOL2 SDF SMILES Flexibase

65330700

Analogs

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Popular Name: (3R)-N-(4-acetylphenyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-(4-acetylphenyl)-1-thiazo…

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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)	3.17	8.4	-16.31	1	6	0	75	380.473	4	↓ MOL2 SDF SMILES Flexibase

65330701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4-acetylphenyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3S)-N-(4-acetylphenyl)-1-thiazo…

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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)	3.17	8.41	-16.24	1	6	0	75	380.473	4	↓ MOL2 SDF SMILES Flexibase

65330702

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-1-thiazolo[5,4-b]pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (3R)-1-thiazolo[5,4-b]pyridin-2-…

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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)	4.12	9.17	-11.87	1	5	0	58	406.433	4	↓ MOL2 SDF SMILES Flexibase

65330703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-thiazolo[5,4-b]pyridin-2-yl-N-[2-(trifluoromethyl)phenyl]piperidine-3-carboxamide (3S)-1-thiazolo[5,4-b]pyridin-2-…

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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)	4.12	9.19	-12	1	5	0	58	406.433	4	↓ MOL2 SDF SMILES Flexibase

65330704

Analogs

35505122
35505125

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-chloro-2-methyl-phenyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-(4-chloro-2-methyl-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)	4.33	9.32	-12.52	1	5	0	58	386.908	3	↓ MOL2 SDF SMILES Flexibase

65330705

Analogs

35505122
35505125

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(4-chloro-2-methyl-phenyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3S)-N-(4-chloro-2-methyl-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)	4.33	9.31	-12.49	1	5	0	58	386.908	3	↓ MOL2 SDF SMILES Flexibase

65330706

Analogs

35505116
35505119

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(5-chloro-2-methyl-phenyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-(5-chloro-2-methyl-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)	4.33	9.34	-13.67	1	5	0	58	386.908	3	↓ MOL2 SDF SMILES Flexibase

65330707

Analogs

35505116
35505119

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(5-chloro-2-methyl-phenyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3S)-N-(5-chloro-2-methyl-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)	4.33	9.32	-13.59	1	5	0	58	386.908	3	↓ MOL2 SDF SMILES Flexibase

65330708

Analogs

15770527
15770529

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-[2-(4-chlorophenyl)ethyl]-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3S)-N-[2-(4-chlorophenyl)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)	4.06	9.32	-14.07	1	5	0	58	400.935	5	↓ MOL2 SDF SMILES Flexibase

65330709

Analogs

15770527
15770529

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-[2-(4-chlorophenyl)ethyl]-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-[2-(4-chlorophenyl)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)	4.06	9.34	-14.09	1	5	0	58	400.935	5	↓ MOL2 SDF SMILES Flexibase

65330710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(2,6-dimethylphenyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-(2,6-dimethylphenyl)-1-th…

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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)	3.14	9.44	-12.62	1	5	0	58	366.49	3	↓ MOL2 SDF SMILES Flexibase

65330711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-N-(2,6-dimethylphenyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3S)-N-(2,6-dimethylphenyl)-1-th…

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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)	3.14	9.76	-13.07	1	5	0	58	366.49	3	↓ MOL2 SDF SMILES Flexibase

65330712

Analogs

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	9.48	-19.02	1	7	0	84	410.499	6	↓ MOL2 SDF SMILES Flexibase

65330713

Analogs

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	9.5	-19.36	1	7	0	84	410.499	6	↓ MOL2 SDF SMILES Flexibase

65330714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-N-(4-ethylphenyl)-1-thiazolo[5,4-b]pyridin-2-yl-piperidine-3-carboxamide (3R)-N-(4-ethylphenyl)-1-thiazol…

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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)	4.19	9.35	-12.67	1	5	0	58	366.49	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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