ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

6051570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-bromo-2-thienyl)-N-(2-methoxy-1-methyl-ethyl)-6H-1,3,4-thiadiazin-2-amine 5-(5-bromo-2-thienyl)-N-(2-metho…

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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	-2.71	-5.57	1	4	0	45	348.291	5	↓ MOL2 SDF SMILES Flexibase

6051572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(5-bromo-2-thienyl)-N-(2-methoxy-1-methyl-ethyl)-6H-1,3,4-thiadiazin-2-amine 5-(5-bromo-2-thienyl)-N-(2-metho…

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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	-2.71	-5.82	1	4	0	45	348.291	5	↓ MOL2 SDF SMILES Flexibase

12401119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[(4-tert-butylphenoxy)methyl]-6-[4-(difluoromethoxy)phenyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadi 3-[(4-tert-butylphenoxy)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)	5.82	3.06	-16.03	0	6	0	62	444.507	7	↓ MOL2 SDF SMILES Flexibase

12536618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-ethyl-6-methyl-phenyl)-5-[(2S)-2-methyl-1-methylsulfonyl-indolin-5-yl]-6H-1,3,4-thiadiazin-2-am N-(2-ethyl-6-methyl-phenyl)-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)	3.71	10.35	-14.95	1	6	0	74	442.61	5	↓ MOL2 SDF SMILES Flexibase

12537778

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3,4-dimethoxyphenyl)-phenyl-BLAHone (3,4-dimethoxyphenyl)-phenyl-BLA…

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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	10.3	-21.16	0	6	0	66	435.53	4	↓ MOL2 SDF SMILES Flexibase

12537963

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(3,4-dimethoxyphenyl)ethyl]-5-[2,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrrol-3-yl]-6H-1,3,4-thiad N-[2-(3,4-dimethoxyphenyl)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)	3.63	10.81	-16.01	1	6	0	60	454.518	9	↓ MOL2 SDF SMILES Flexibase

12537965

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2,5-dimethyl-1-(3-methylsulfanylphenyl)pyrrol-3-yl]-N-[3-(trifluoromethyl)phenyl]-6H-1,3,4-thiadi 5-[2,5-dimethyl-1-(3-methylsulfa…

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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)	5.72	15.03	-9.84	1	4	0	42	474.577	6	↓ MOL2 SDF SMILES Flexibase

12538943

Analogs

12538946

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2,5-dimethyl-1-[[(2S)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-N-(4-morpholinosulfonylphenyl)-6H- 5-[2,5-dimethyl-1-[[(2S)-tetrahy…

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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)	2.49	8.16	-50.75	0	9	-1	100	516.669	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.49	8.68	-18.42	1	9	0	98	517.677	7	↓ MOL2 SDF SMILES Flexibase

12538946

Analogs

12538943

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2,5-dimethyl-1-[[(2R)-tetrahydrofuran-2-yl]methyl]pyrrol-3-yl]-N-(4-morpholinosulfonylphenyl)-6H- 5-[2,5-dimethyl-1-[[(2R)-tetrahy…

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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)	2.49	8.15	-47.64	0	9	-1	100	516.669	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.49	8.67	-16.73	1	9	0	98	517.677	7	↓ MOL2 SDF SMILES Flexibase

12538952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-N-(4-morpholinosulfonylphenyl)-6H-1,3,4-thiadiazin-2-amine 5-(2,5-dimethyl-1-phenyl-pyrrol-…

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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	10.68	-16.59	1	8	0	88	509.657	6	↓ MOL2 SDF SMILES Flexibase

13012209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-5-(1-methylpyrrol-2-yl)-3,6-dihydro-1,3,4-thiadiazin-2-imine N-benzyl-5-(1-methylpyrrol-2-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)	2.52	8.71	-7.59	1	4	0	42	284.388	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.52	8.73	-28.2	2	4	1	43	285.396	4	↓ MOL2 SDF SMILES Flexibase

13013783

Analogs

13013784
13013789
13013791

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-[(3,5-dimethylphenoxy)methyl]-6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl] 2-[(7R)-3-[(3,5-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.28	12.17	-53.91	0	7	-1	92	421.502	6	↓ MOL2 SDF SMILES Flexibase

13013784

Analogs

13013789
13013791
13013783

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(3,5-dimethylphenoxy)methyl]-6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl] 2-[(7S)-3-[(3,5-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.28	12.19	-51.88	0	7	-1	92	421.502	6	↓ MOL2 SDF SMILES Flexibase

13013785

Analogs

13013787

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-6-(4-chlorophenyl)-3-[(3,5-dimethylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7S)-6-(4-chlorophenyl)-3-[(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)	4.51	12.03	-49.44	0	7	-1	92	441.92	6	↓ MOL2 SDF SMILES Flexibase

13013787

Analogs

13013785

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-6-(4-chlorophenyl)-3-[(3,5-dimethylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7R)-6-(4-chlorophenyl)-3-[(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)	4.51	12.02	-51.49	0	7	-1	92	441.92	6	↓ MOL2 SDF SMILES Flexibase

13013789

Analogs

13013791
13013783
13013784

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(3,5-dimethylphenoxy)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ace 2-[(7S)-3-[(3,5-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	11.5	-54.2	0	7	-1	92	407.475	6	↓ MOL2 SDF SMILES Flexibase

13013791

Analogs

13013783
13013784
13013789

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-[(3,5-dimethylphenoxy)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ace 2-[(7R)-3-[(3,5-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.83	11.5	-54.16	0	7	-1	92	407.475	6	↓ MOL2 SDF SMILES Flexibase

13013793

Analogs

13013794

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(3,5-dimethylphenoxy)methyl]-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7S)-3-[(3,5-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	11.58	-49.67	0	7	-1	92	425.465	6	↓ MOL2 SDF SMILES Flexibase

13013794

Analogs

13013793

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-[(3,5-dimethylphenoxy)methyl]-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7R)-3-[(3,5-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.99	11.58	-51.69	0	7	-1	92	425.465	6	↓ MOL2 SDF SMILES Flexibase

13013795

Analogs

13013796

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(3,5-dimethylphenoxy)methyl]-6-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-y 2-[(7S)-3-[(3,5-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	10.61	-53.05	0	7	-1	92	413.504	6	↓ MOL2 SDF SMILES Flexibase

13013796

Analogs

13013795

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-[(3,5-dimethylphenoxy)methyl]-6-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-y 2-[(7R)-3-[(3,5-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.73	10.61	-52.97	0	7	-1	92	413.504	6	↓ MOL2 SDF SMILES Flexibase

13013797

Analogs

13013798
13013804
13013806

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-[(2,6-dimethylphenoxy)methyl]-6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl] 2-[(7R)-3-[(2,6-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	12.38	-52.39	0	7	-1	92	421.502	6	↓ MOL2 SDF SMILES Flexibase

13013798

Analogs

13013804
13013806
13013797

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(2,6-dimethylphenoxy)methyl]-6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl] 2-[(7S)-3-[(2,6-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.26	12.39	-52.25	0	7	-1	92	421.502	6	↓ MOL2 SDF SMILES Flexibase

13013800

Analogs

13013802

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-6-(4-chlorophenyl)-3-[(2,6-dimethylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7S)-6-(4-chlorophenyl)-3-[(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)	4.48	12.23	-49.9	0	7	-1	92	441.92	6	↓ MOL2 SDF SMILES Flexibase

13013802

Analogs

13013800

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-6-(4-chlorophenyl)-3-[(2,6-dimethylphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7R)-6-(4-chlorophenyl)-3-[(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)	4.48	12.23	-51.46	0	7	-1	92	441.92	6	↓ MOL2 SDF SMILES Flexibase

13013804

Analogs

13013806
13013797
13013798

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(2,6-dimethylphenoxy)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ace 2-[(7S)-3-[(2,6-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	11.71	-54.14	0	7	-1	92	407.475	6	↓ MOL2 SDF SMILES Flexibase

13013806

Analogs

13013797
13013798
13013804

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-[(2,6-dimethylphenoxy)methyl]-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ace 2-[(7R)-3-[(2,6-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	11.71	-54.14	0	7	-1	92	407.475	6	↓ MOL2 SDF SMILES Flexibase

13013808

Analogs

13013809

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(2,6-dimethylphenoxy)methyl]-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7S)-3-[(2,6-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.97	11.78	-50.17	0	7	-1	92	425.465	6	↓ MOL2 SDF SMILES Flexibase

13013809

Analogs

13013808

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-[(2,6-dimethylphenoxy)methyl]-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazi 2-[(7R)-3-[(2,6-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.97	11.78	-51.61	0	7	-1	92	425.465	6	↓ MOL2 SDF SMILES Flexibase

13013811

Analogs

13013813

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-[(2,6-dimethylphenoxy)methyl]-6-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-y 2-[(7S)-3-[(2,6-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	10.82	-54.88	0	7	-1	92	413.504	6	↓ MOL2 SDF SMILES Flexibase

13013813

Analogs

13013811

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Popular Name: 2-[(7R)-3-[(2,6-dimethylphenoxy)methyl]-6-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-y 2-[(7R)-3-[(2,6-dimethylphenoxy)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.71	10.82	-53.41	0	7	-1	92	413.504	6	↓ MOL2 SDF SMILES Flexibase

13013815

Analogs

13013816
13013823
13013825

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Popular Name: 2-[(7R)-3-(3,5-dimethylpyrazol-1-yl)-6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ace 2-[(7R)-3-(3,5-dimethylpyrazol-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)	2.61	12.62	-53.96	0	8	-1	101	381.441	4	↓ MOL2 SDF SMILES Flexibase

13013816

Analogs

13013823
13013825
13013815

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Popular Name: 2-[(7S)-3-(3,5-dimethylpyrazol-1-yl)-6-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]ace 2-[(7S)-3-(3,5-dimethylpyrazol-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)	2.61	13.67	-52	0	8	-1	101	381.441	4	↓ MOL2 SDF SMILES Flexibase

13013818

Analogs

13013821

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-6-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7 2-[(7S)-6-(4-chlorophenyl)-3-(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)	2.84	12.45	-51.23	0	8	-1	101	401.859	4	↓ MOL2 SDF SMILES Flexibase

13013821

Analogs

13013818

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-6-(4-chlorophenyl)-3-(3,5-dimethylpyrazol-1-yl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7 2-[(7R)-6-(4-chlorophenyl)-3-(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)	2.84	12.47	-51.13	0	8	-1	101	401.859	4	↓ MOL2 SDF SMILES Flexibase

13013823

Analogs

13013825
13013815
13013816

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic 2-[(7S)-3-(3,5-dimethylpyrazol-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)	2.16	11.93	-54.45	0	8	-1	101	367.414	4	↓ MOL2 SDF SMILES Flexibase

13013825

Analogs

13013815
13013816
13013823

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-(3,5-dimethylpyrazol-1-yl)-6-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]acetic 2-[(7R)-3-(3,5-dimethylpyrazol-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)	2.16	11.94	-54.27	0	8	-1	101	367.414	4	↓ MOL2 SDF SMILES Flexibase

13013827

Analogs

13013828

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Popular Name: 2-[(7S)-3-(3,5-dimethylpyrazol-1-yl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7 2-[(7S)-3-(3,5-dimethylpyrazol-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)	2.32	12	-51.35	0	8	-1	101	385.404	4	↓ MOL2 SDF SMILES Flexibase

13013828

Analogs

13013827

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-(3,5-dimethylpyrazol-1-yl)-6-(4-fluorophenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7 2-[(7R)-3-(3,5-dimethylpyrazol-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)	2.32	12.01	-51.27	0	8	-1	101	385.404	4	↓ MOL2 SDF SMILES Flexibase

13013830

Analogs

13013831

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7S)-3-(3,5-dimethylpyrazol-1-yl)-6-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]a 2-[(7S)-3-(3,5-dimethylpyrazol-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)	2.06	11.03	-55.06	0	8	-1	101	373.443	4	↓ MOL2 SDF SMILES Flexibase

13013831

Analogs

13013830

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(7R)-3-(3,5-dimethylpyrazol-1-yl)-6-(2-thienyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-7-yl]a 2-[(7R)-3-(3,5-dimethylpyrazol-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)	2.06	11.04	-55	0	8	-1	101	373.443	4	↓ MOL2 SDF SMILES Flexibase

13014597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[3-[(4-methoxyphenoxy)methyl]-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl]-4H-1,4-benzoxazin-3 6-[3-[(4-methoxyphenoxy)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)	2.58	6.45	-21.33	1	9	0	100	423.454	5	↓ MOL2 SDF SMILES Flexibase

13127502

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (4E)-2-hydroxy-4-[3-(2-methoxyphenyl)-5H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-ylidene]cyclohexa (4E)-2-hydroxy-4-[3-(2-methoxyph…

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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)	2.90	5.16	-22.72	2	7	0	93	354.391	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.90	6.08	-56.61	1	7	-1	96	353.383	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.15	7.79	-62.47	1	7	-1	92	353.383	2	↓ MOL2 SDF SMILES Flexibase

13127849

Analogs

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Popular Name: 5-(1,3-benzodioxol-5-yl)-N-(2-chloro-5-morpholinosulfonyl-phenyl)-6H-1,3,4-thiadiazin-2-amine 5-(1,3-benzodioxol-5-yl)-N-(2-ch…

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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	5.89	-19.69	1	9	0	102	494.982	5	↓ MOL2 SDF SMILES Flexibase

13128244

Analogs

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Popular Name: 5-[1-(1,3-benzodioxol-5-ylmethyl)-2,5-dimethyl-pyrrol-3-yl]-N-(2-furylmethyl)-6H-1,3,4-thiadiazin-2- 5-[1-(1,3-benzodioxol-5-ylmethyl…

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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)	3.40	10.27	-15.06	1	7	0	73	422.51	6	↓ MOL2 SDF SMILES Flexibase

22764403

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-(difluoromethoxy)phenyl]-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 6-[4-(difluoromethoxy)phenyl]-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	10.03	-16.23	0	5	0	52	358.373	4	↓ MOL2 SDF SMILES Flexibase

22764406

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-phenoxyphenyl)-3-phenyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 6-(4-phenoxyphenyl)-3-phenyl-7H-…

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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)	5.61	13.31	-16.03	0	5	0	52	384.464	4	↓ MOL2 SDF SMILES Flexibase

22764411

Analogs

530045

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-tert-butylphenyl)-3-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 6-(4-tert-butylphenyl)-3-(p-toly…

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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)	6.02	13.45	-13.82	0	4	0	43	362.502	3	↓ MOL2 SDF SMILES Flexibase

22764419

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-phenoxyphenyl)-3-(p-tolyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 6-(4-phenoxyphenyl)-3-(p-tolyl)-…

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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)	6.06	13.97	-15.84	0	5	0	52	398.491	4	↓ MOL2 SDF SMILES Flexibase

22764427

Analogs

5085882
6406232

Draw Identity 99% 90% 80% 70%

Popular Name: 6-(4-tert-butylphenyl)-3-(4-methoxyphenyl)-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazine 6-(4-tert-butylphenyl)-3-(4-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)	5.62	12.1	-13.97	0	5	0	52	378.501	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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