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ZINC Item

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58322869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	2.91	9.82	-17.96	1	6	0	72	327.413	2	↓ MOL2 SDF SMILES Flexibase

65518615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	3.43	7.11	-21.36	1	7	0	90	384.461	4	↓ MOL2 SDF SMILES Flexibase

48945266

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)acetamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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	5.42	-13.66	1	3	0	42	224.329	1	↓ MOL2 SDF SMILES Flexibase

48945267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-5-methyl-thiophene-2-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	4.25	8.31	-12.69	1	3	0	42	306.456	2	↓ MOL2 SDF SMILES Flexibase

48945268

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)benzamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	4.13	8.53	-13.76	1	3	0	42	286.4	2	↓ MOL2 SDF SMILES Flexibase

48945269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)pyrazine-2-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	2.67	4.96	-13.17	1	5	0	68	288.376	2	↓ MOL2 SDF SMILES Flexibase

48945270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-(3-thienyl)acetamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	3.81	8.13	-14.25	1	3	0	42	306.456	3	↓ MOL2 SDF SMILES Flexibase

48945271

Analogs

44825847

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)cyclobutanecarboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	3.46	7.2	-8.03	1	3	0	42	264.394	2	↓ MOL2 SDF SMILES Flexibase

48945272

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)thiophene-2-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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	7.49	-12.89	1	3	0	42	292.429	2	↓ MOL2 SDF SMILES Flexibase

48945273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-3-methyl-but-2-enamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	4.10	7.53	-11.73	1	3	0	42	264.394	2	↓ MOL2 SDF SMILES Flexibase

48945274

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2,3-dihydro-1,4-dioxine-5-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	2.54	5.8	-11.67	1	5	0	60	294.376	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.72	4.25	-49.09	0	5	-1	67	293.368	2	↓ MOL2 SDF SMILES Flexibase

48945276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)cyclopropanecarboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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	6.68	-8.19	1	3	0	42	250.367	2	↓ MOL2 SDF SMILES Flexibase

48945277

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)furan-3-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	3.08	6.52	-16.45	1	4	0	55	276.361	2	↓ MOL2 SDF SMILES Flexibase

48945278

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)thiophene-3-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	3.72	7.44	-15.1	1	3	0	42	292.429	2	↓ MOL2 SDF SMILES Flexibase

48945279

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl 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)	2.52	7.01	-12.63	1	5	0	68	296.392	5	↓ MOL2 SDF SMILES Flexibase

48945280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-(2-methoxyethylsulfanyl)acetamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	2.93	6.63	-14.86	1	4	0	51	314.476	6	↓ MOL2 SDF SMILES Flexibase

48945281

Analogs

25768218

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyanomethylsulfanyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)acetamide 2-(cyanomethylsulfanyl)-N-(4,5,6…

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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)	2.73	6.97	-17.75	1	4	0	66	295.433	4	↓ MOL2 SDF SMILES Flexibase

48945282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-4-methoxy-butanamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	2.95	6.05	-15.65	1	4	0	51	282.409	5	↓ MOL2 SDF SMILES Flexibase

48945284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-1H-triazole-4-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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	3.54	-12.67	2	6	0	84	277.353	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.22	3.55	-40.8	1	6	-1	82	276.345	2	↓ MOL2 SDF SMILES Flexibase

48945285

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-1,4-dioxane-2-carboxamide (2S)-N-(4,5,6,7,8,9-hexahydrocyc…

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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)	2.05	5.21	-10.25	1	5	0	60	296.392	2	↓ MOL2 SDF SMILES Flexibase

48945286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-1,4-dioxane-2-carboxamide (2R)-N-(4,5,6,7,8,9-hexahydrocyc…

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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)	2.05	5.21	-10.25	1	5	0	60	296.392	2	↓ MOL2 SDF SMILES Flexibase

48945287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-(trifluoromethylsulfanyl)acetamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	6.49	6.93	-9.03	1	3	0	42	324.393	4	↓ MOL2 SDF SMILES Flexibase

48945288

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-1,2,5-thiadiazole-3-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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	4.29	-8.84	1	5	0	68	294.405	2	↓ MOL2 SDF SMILES Flexibase

48945289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)thiadiazole-5-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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	5.1	-11.16	1	5	0	68	294.405	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.03	3.49	-40.17	0	5	-1	74	293.397	2	↓ MOL2 SDF SMILES Flexibase

48945290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)thiazole-5-carboxamide 4-chloro-N-(4,5,6,7,8,9-hexahydr…

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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)	4.10	6.18	-16.21	1	4	0	55	327.862	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.17	4.61	-48.28	0	4	-1	61	326.854	2	↓ MOL2 SDF SMILES Flexibase

48945291

Analogs

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Popular Name: (E)-3-cyclopropyl-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)but-2-enamide (E)-3-cyclopropyl-N-(4,5,6,7,8,9…

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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)	4.36	8.98	-11.2	1	3	0	42	290.432	3	↓ MOL2 SDF SMILES Flexibase

48945292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-cyclopropyl-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)but-2-enamide (Z)-3-cyclopropyl-N-(4,5,6,7,8,9…

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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)	4.36	8.91	-12.24	1	3	0	42	290.432	3	↓ MOL2 SDF SMILES Flexibase

48974280

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)pyridine-4-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	2.84	6.76	-13.72	1	4	0	55	287.388	2	↓ MOL2 SDF SMILES Flexibase

48974282

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-(2-thienyl)acetamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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	8.33	-14.85	1	3	0	42	306.456	3	↓ MOL2 SDF SMILES Flexibase

48974283

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-3-methyl-butanamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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	7.59	-12.27	1	3	0	42	266.41	3	↓ MOL2 SDF SMILES Flexibase

48974284

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1S,2R)-N-(4,5,6,7,8,9-hexahydro…

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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)	3.90	7.71	-11.92	1	3	0	42	264.394	2	↓ MOL2 SDF SMILES Flexibase

48974286

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1S,2S)-N-(4,5,6,7,8,9-hexahydro…

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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)	3.90	7.66	-12.59	1	3	0	42	264.394	2	↓ MOL2 SDF SMILES Flexibase

48974287

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1R,2R)-N-(4,5,6,7,8,9-hexahydro…

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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)	3.90	7.67	-12.6	1	3	0	42	264.394	2	↓ MOL2 SDF SMILES Flexibase

48974289

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-methyl-cyclopropanecarboxamide (1R,2S)-N-(4,5,6,7,8,9-hexahydro…

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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)	3.90	7.71	-11.92	1	3	0	42	264.394	2	↓ MOL2 SDF SMILES Flexibase

48974290

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-5-methyl-furan-2-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	3.61	7.37	-12.08	1	4	0	55	290.388	2	↓ MOL2 SDF SMILES Flexibase

48974292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-(1,2,4-triazol-1-yl)acetamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	1.57	8.09	-23.36	1	6	0	73	291.38	3	↓ MOL2 SDF SMILES Flexibase

48974293

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-methylsulfanyl-acetamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	2.95	6.67	-15.19	1	3	0	42	270.423	3	↓ MOL2 SDF SMILES Flexibase

48974295

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)cyclohex-3-ene-1-carboxamide (1R)-N-(4,5,6,7,8,9-hexahydrocyc…

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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	8.36	-7.3	1	3	0	42	290.432	2	↓ MOL2 SDF SMILES Flexibase

48974296

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)cyclohex-3-ene-1-carboxamide (1S)-N-(4,5,6,7,8,9-hexahydrocyc…

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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	8.36	-7.28	1	3	0	42	290.432	2	↓ MOL2 SDF SMILES Flexibase

48974298

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-methyl-furan-3-carboxamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	3.30	7.33	-12.81	1	4	0	55	290.388	2	↓ MOL2 SDF SMILES Flexibase

48974299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-cyclopent-2-en-1-yl]-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)acetamide 2-[(1S)-cyclopent-2-en-1-yl]-N-(…

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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	8.43	-8.57	1	3	0	42	290.432	3	↓ MOL2 SDF SMILES Flexibase

48974301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-cyclopent-2-en-1-yl]-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)acetamide 2-[(1R)-cyclopent-2-en-1-yl]-N-(…

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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	8.43	-8.61	1	3	0	42	290.432	3	↓ MOL2 SDF SMILES Flexibase

48974302

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2E,4E)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)hexa-2,4-dienamide (2E,4E)-N-(4,5,6,7,8,9-hexahydro…

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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)	3.83	8.28	-12.72	1	3	0	42	276.405	3	↓ MOL2 SDF SMILES Flexibase

48974304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-[(2S)-tetrahydrofuran-2-yl]acetamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	3.07	6.87	-11.53	1	4	0	51	294.42	3	↓ MOL2 SDF SMILES Flexibase

48974305

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-[(2R)-tetrahydrofuran-2-yl]acetamide N-(4,5,6,7,8,9-hexahydrocyclooct…

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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)	3.07	6.75	-11.62	1	4	0	51	294.42	3	↓ MOL2 SDF SMILES Flexibase

48974307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-nitro-cyclopropanecarboxamide (1R,2S)-N-(4,5,6,7,8,9-hexahydro…

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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)	2.80	8.05	-17.4	1	6	0	88	295.364	3	↓ MOL2 SDF SMILES Flexibase

48974308

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-nitro-cyclopropanecarboxamide (1S,2S)-N-(4,5,6,7,8,9-hexahydro…

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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)	2.80	7.08	-10.6	1	6	0	88	295.364	3	↓ MOL2 SDF SMILES Flexibase

48974310

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-nitro-cyclopropanecarboxamide (1R,2R)-N-(4,5,6,7,8,9-hexahydro…

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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)	2.80	7.08	-10.66	1	6	0	88	295.364	3	↓ MOL2 SDF SMILES Flexibase

48974311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)-2-nitro-cyclopropanecarboxamide (1S,2R)-N-(4,5,6,7,8,9-hexahydro…

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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)	2.80	8.05	-17.43	1	6	0	88	295.364	3	↓ MOL2 SDF SMILES Flexibase

49289505

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-allyloxy-N-(4,5,6,7,8,9-hexahydrocycloocta[d]thiazol-2-yl)propanamide (2S)-2-allyloxy-N-(4,5,6,7,8,9-h…

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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)	3.41	7.78	-16.34	1	4	0	51	294.42	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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