ZINC 12

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ZINC Item

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36634183

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2,4-dimethyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiazole-5- (NZ)-2,4-dimethyl-N-(3-methyl-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)	2.97	5.82	-12.49	0	6	0	66	361.448	1	↓ MOL2 SDF SMILES Flexibase

36634184

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NE)-2,5-dimethyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)furan-3-car (NE)-2,5-dimethyl-N-(3-methyl-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)	3.25	5.9	-12.14	0	6	0	66	344.392	1	↓ MOL2 SDF SMILES Flexibase

36634185

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-1H-indole-3-carboxamide (NZ)-N-(3-methyl-6,7-dihydro-[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)	4.01	7.33	-16.69	1	6	0	69	365.414	1	↓ MOL2 SDF SMILES Flexibase

36634186

Analogs

36634187
36634188
36634189

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2R,3R)-3-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,3-dihy (NE,2R,3R)-3-methyl-N-(3-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)	3.66	7.82	-14.91	0	7	0	71	398.44	1	↓ MOL2 SDF SMILES Flexibase

36634187

Analogs

36634188
36634189
36634186

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2R,3S)-3-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,3-dihy (NE,2R,3S)-3-methyl-N-(3-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)	3.66	7.92	-13.11	0	7	0	71	398.44	1	↓ MOL2 SDF SMILES Flexibase

36634188

Analogs

36634189
36634186
36634187

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2S,3R)-3-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,3-dihy (NE,2S,3R)-3-methyl-N-(3-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)	3.66	8.05	-12.69	0	7	0	71	398.44	1	↓ MOL2 SDF SMILES Flexibase

36634189

Analogs

36634186
36634187
36634188

Draw Identity 99% 90% 80% 70%

Popular Name: (NE,2S,3S)-3-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,3-dihy (NE,2S,3S)-3-methyl-N-(3-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)	3.66	7.96	-14.03	0	7	0	71	398.44	1	↓ MOL2 SDF SMILES Flexibase

36634190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-chloro-4-fluoro-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)benzam (NZ)-2-chloro-4-fluoro-N-(3-meth…

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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	7.93	-9.97	0	5	0	53	378.812	1	↓ MOL2 SDF SMILES Flexibase

36634191

Analogs

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Popular Name: (NZ)-2-(2-chlorophenyl)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)aceta (NZ)-2-(2-chlorophenyl)-N-(3-met…

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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	8.29	-10.98	0	5	0	53	374.849	2	↓ MOL2 SDF SMILES Flexibase

36634192

Analogs

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Popular Name: (NZ)-4-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)thiadiazole-5-c (NZ)-4-methyl-N-(3-methyl-6,7-di…

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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)	2.92	4.3	-9.23	0	7	0	79	348.409	1	↓ MOL2 SDF SMILES Flexibase

36634193

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-5-phenyl-isoxazole-3-ca (NZ)-N-(3-methyl-6,7-dihydro-[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)	4.51	7.74	-12.65	0	7	0	79	393.424	2	↓ MOL2 SDF SMILES Flexibase

36634194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothia (NZ)-2-(1,3-dimethyl-2,6-dioxo-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)	1.90	7.98	-19.37	0	11	0	115	442.457	2	↓ MOL2 SDF SMILES Flexibase

36634195

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamid (NZ)-N-(3-methyl-6,7-dihydro-[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)	3.64	5.79	-14.89	0	7	0	79	378.413	1	↓ MOL2 SDF SMILES Flexibase

36634196

Analogs

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Popular Name: (NZ)-3-methoxy-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyraz (NZ)-3-methoxy-1-methyl-N-(3-met…

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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)	2.42	3.23	-18.12	0	8	0	80	360.395	2	↓ MOL2 SDF SMILES Flexibase

36634197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-[methyl(methylsulfony (NZ)-N-(3-methyl-6,7-dihydro-[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)	1.56	2.37	-13.3	0	8	0	90	371.44	3	↓ MOL2 SDF SMILES Flexibase

36634198

Analogs

38506047
13704362
13702891
13704440
13704366

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-(3,5-dimethylpyrazol-1-yl)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yli (NZ)-2-(3,5-dimethylpyrazol-1-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)	2.67	6.3	-15.08	0	7	0	71	358.423	2	↓ MOL2 SDF SMILES Flexibase

36634200

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)imidazo[1,2-a]p (NZ)-2-methyl-N-(3-methyl-6,7-di…

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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)	3.69	8.77	-16.9	0	7	0	70	380.429	1	↓ MOL2 SDF SMILES Flexibase

36634201

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-(2-oxo-1,3-benzoxazol (NZ)-N-(3-methyl-6,7-dihydro-[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)	3.08	7.75	-18.77	0	8	0	88	397.412	2	↓ MOL2 SDF SMILES Flexibase

36634202

Analogs

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Popular Name: (NZ)-5-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-1-phenyl-pyraz (NZ)-5-methyl-N-(3-methyl-6,7-di…

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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)	3.74	8.77	-13.14	0	7	0	71	406.467	2	↓ MOL2 SDF SMILES Flexibase

36634204

Analogs

4255134
4255405
4255473
12063530

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-(1,2,4-triazol-1-yl)a (NZ)-N-(3-methyl-6,7-dihydro-[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)	1.30	6.74	-17.15	0	8	0	84	331.357	2	↓ MOL2 SDF SMILES Flexibase

36634206

Analogs

36634208
36634209
36634238
36634239
38875833

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-1-methyl-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)imidazole-2-car (NZ)-1-methyl-N-(3-methyl-6,7-di…

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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)	2.03	5.56	-14.31	0	7	0	71	330.369	1	↓ MOL2 SDF SMILES Flexibase

36634208

Analogs

36634206

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-2-carboxamid (NZ)-N-(3-methyl-6,7-dihydro-[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)	3.90	5.58	-14.04	0	7	0	79	378.413	1	↓ MOL2 SDF SMILES Flexibase

36634209

Analogs

36634236
36634206

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazine-2-carboxamide (NZ)-N-(3-methyl-6,7-dihydro-[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)	2.40	3.52	-13.09	0	7	0	79	328.353	1	↓ MOL2 SDF SMILES Flexibase

36634210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)cyclobutanecarboxamide (NZ)-N-(3-methyl-6,7-dihydro-[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)	3.20	6.15	-9.74	0	5	0	53	304.371	1	↓ MOL2 SDF SMILES Flexibase

36634211

Analogs

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Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-3-nitro-4-(1-piperidyl) (NZ)-N-(3-methyl-6,7-dihydro-[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)	4.76	11.42	-13.97	0	9	0	102	454.508	3	↓ MOL2 SDF SMILES Flexibase

36634212

Analogs

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Popular Name: (NZ)-N-(3-methyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-4-morpholino-3-nitro-be (NZ)-N-(3-methyl-6,7-dihydro-[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)	3.70	9	-15.85	0	10	0	111	456.48	3	↓ MOL2 SDF SMILES Flexibase

36634213

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,4-dimethyl-thiazole-5- (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	3.35	6.57	-12.43	0	6	0	66	375.475	2	↓ MOL2 SDF SMILES Flexibase

36634214

Analogs

38875788

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2,5-dimethyl-furan-3-car (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	3.63	7.54	-11.39	0	6	0	66	358.419	2	↓ MOL2 SDF SMILES Flexibase

36634215

Analogs

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Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-1H-indole-3-carboxamide (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	4.39	8.08	-16.53	1	6	0	69	379.441	2	↓ MOL2 SDF SMILES Flexibase

36634216

Analogs

36634217
36634218
36634219

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S,3S)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methyl-2,3-dihyd (NZ,2S,3S)-N-(3-ethyl-6,7-dihydr…

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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	9.36	-14.38	0	7	0	71	412.467	2	↓ MOL2 SDF SMILES Flexibase

36634217

Analogs

36634218
36634219
36634216

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2S,3R)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methyl-2,3-dihyd (NZ,2S,3R)-N-(3-ethyl-6,7-dihydr…

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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	9.47	-13.12	0	7	0	71	412.467	2	↓ MOL2 SDF SMILES Flexibase

36634218

Analogs

36634219
36634216
36634217

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R,3S)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methyl-2,3-dihyd (NZ,2R,3S)-N-(3-ethyl-6,7-dihydr…

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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	9.45	-13.06	0	7	0	71	412.467	2	↓ MOL2 SDF SMILES Flexibase

36634219

Analogs

36634216
36634217
36634218

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ,2R,3R)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methyl-2,3-dihyd (NZ,2R,3R)-N-(3-ethyl-6,7-dihydr…

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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	9.38	-14.37	0	7	0	71	412.467	2	↓ MOL2 SDF SMILES Flexibase

36634220

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-chloro-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-4-fluoro-benzam (NZ)-2-chloro-N-(3-ethyl-6,7-dih…

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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)	5.01	8.68	-9.85	0	5	0	53	392.839	2	↓ MOL2 SDF SMILES Flexibase

36634221

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-(2-chlorophenyl)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)acetam (NZ)-2-(2-chlorophenyl)-N-(3-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)	4.96	9.03	-11.01	0	5	0	53	388.876	3	↓ MOL2 SDF SMILES Flexibase

36634222

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-4-methyl-thiadiazole-5-c (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	3.29	5.05	-9.09	0	7	0	79	362.436	2	↓ MOL2 SDF SMILES Flexibase

36634223

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-5-phenyl-isoxazole-3-car (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	4.88	8.48	-12.64	0	7	0	79	407.451	3	↓ MOL2 SDF SMILES Flexibase

36634224

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-(1,3-dimethyl-2,6-dioxo-purin-7-yl)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiaz (NZ)-2-(1,3-dimethyl-2,6-dioxo-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)	2.28	8.72	-19.27	0	11	0	115	456.484	3	↓ MOL2 SDF SMILES Flexibase

36634225

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-6-carboxamide (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	4.01	6.54	-14.79	0	7	0	79	392.44	2	↓ MOL2 SDF SMILES Flexibase

36634226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-3-methoxy-1-methyl-pyraz (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	2.80	3.97	-17.98	0	8	0	80	374.422	3	↓ MOL2 SDF SMILES Flexibase

36634227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-[methyl(methylsulfonyl (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	1.93	3.11	-13.1	0	8	0	90	385.467	4	↓ MOL2 SDF SMILES Flexibase

36634228

Analogs

13704366
13704440
13700131
13704444
9002338

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-2-(3,5-dimethylpyrazol-1-yl)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylid (NZ)-2-(3,5-dimethylpyrazol-1-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)	3.05	7.04	-15.03	0	7	0	71	372.45	3	↓ MOL2 SDF SMILES Flexibase

36634230

Analogs

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Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-methyl-imidazo[1,2-a]p (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	4.06	9.52	-16.78	0	7	0	70	394.456	2	↓ MOL2 SDF SMILES Flexibase

36634231

Analogs

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Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-(2-oxo-1,3-benzoxazol- (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	3.46	8.48	-18.77	0	8	0	88	411.439	3	↓ MOL2 SDF SMILES Flexibase

36634232

Analogs

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Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-5-methyl-1-phenyl-pyrazo (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	4.11	9.57	-12.96	0	7	0	71	420.494	3	↓ MOL2 SDF SMILES Flexibase

36634234

Analogs

12063530
5183640

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-2-(1,2,4-triazol-1-yl)ac (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	1.68	7.47	-16.88	0	8	0	84	345.384	3	↓ MOL2 SDF SMILES Flexibase

36634236

Analogs

36634238
36634239
38875831
38875833
36634209

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)-1-methyl-imidazole-2-car (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	2.40	6.3	-14.32	0	7	0	71	344.396	2	↓ MOL2 SDF SMILES Flexibase

36634238

Analogs

36634206
36634236

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)quinoxaline-2-carboxamide (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	4.28	6.32	-13.95	0	7	0	79	392.44	2	↓ MOL2 SDF SMILES Flexibase

36634239

Analogs

36634206
36634236

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)pyrazine-2-carboxamide (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	2.77	4.27	-13	0	7	0	79	342.38	2	↓ MOL2 SDF SMILES Flexibase

36634240

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (NZ)-N-(3-ethyl-6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-ylidene)cyclobutanecarboxamide (NZ)-N-(3-ethyl-6,7-dihydro-[1,4…

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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)	3.57	6.88	-9.72	0	5	0	53	318.398	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 95435
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 = 95435 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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