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ZINC Item

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38574948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(3-acetylphenyl)-2-[[3-(4-etho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.20	10.78	-24.23	1	8	0	98	447.52	8	↓ MOL2 SDF SMILES Flexibase

38574950

Analogs

9415235

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(4-isopropylphenyl)acetamide 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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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)	5.84	12.31	-16.08	1	7	0	81	447.564	8	↓ MOL2 SDF SMILES Flexibase

38574952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)a 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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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	10.48	-16.15	1	8	0	91	449.536	8	↓ MOL2 SDF SMILES Flexibase

38574954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ac N-(3-chloro-2-methyl-phenyl)-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)	5.36	11.67	-15.9	1	7	0	81	453.955	7	↓ MOL2 SDF SMILES Flexibase

38574956

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(2-chlorophenyl)-2-[[3-(4-etho…

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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	11.02	-14.92	1	7	0	81	439.928	7	↓ MOL2 SDF SMILES Flexibase

38574958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(3-fluoro-4-methyl-phenyl)ac 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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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)	4.87	11.1	-18.94	1	7	0	81	437.5	7	↓ MOL2 SDF SMILES Flexibase

38574960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(2-nitrophenyl)acetamide 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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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)	4.24	11.47	-17.51	1	10	0	127	450.48	8	↓ MOL2 SDF SMILES Flexibase

38574976

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetami N-(3,5-dimethoxyphenyl)-2-[[3-(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)	4.37	9	-19.23	1	9	0	100	465.535	9	↓ MOL2 SDF SMILES Flexibase

38574977

Analogs

38574982

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dichlorophenyl)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(2,5-dichlorophenyl)-2-[[3-(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)	5.61	11.54	-15.17	1	7	0	81	474.373	7	↓ MOL2 SDF SMILES Flexibase

38574979

Analogs

9415246

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichlorophenyl)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(3,5-dichlorophenyl)-2-[[3-(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)	5.61	11.42	-16.29	1	7	0	81	474.373	7	↓ MOL2 SDF SMILES Flexibase

38574980

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(4-fluoro-3-nitro-phenyl)ace 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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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)	4.38	11.14	-26.35	1	10	0	127	468.47	8	↓ MOL2 SDF SMILES Flexibase

38574982

Analogs

38574977

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dichlorophenyl)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(2,3-dichlorophenyl)-2-[[3-(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)	5.59	11.49	-15	1	7	0	81	474.373	7	↓ MOL2 SDF SMILES Flexibase

38574984

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ac N-(3-chloro-4-fluoro-phenyl)-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)	5.10	10.96	-19.19	1	7	0	81	457.918	7	↓ MOL2 SDF SMILES Flexibase

38574993

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-methyl-N-phenyl-acetamide 2-[[3-(4-ethoxyphenyl)-[1,2,4]tr…

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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)	4.57	12.16	-16.56	0	7	0	73	419.51	7	↓ MOL2 SDF SMILES Flexibase

38575001

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethylphenyl)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(3,4-dimethylphenyl)-2-[[3-(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)	5.15	11.6	-16.53	1	7	0	81	433.537	7	↓ MOL2 SDF SMILES Flexibase

38575004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-difluorophenyl)-2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(3,4-difluorophenyl)-2-[[3-(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)	4.59	10.51	-20.35	1	7	0	81	441.463	7	↓ MOL2 SDF SMILES Flexibase

38575014

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[2-[[3-(4-ethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetyl]amino]benzamide 4-[[2-[[3-(4-ethoxyphenyl)-[1,2,…

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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)	3.15	7.18	-24.59	3	9	0	125	448.508	8	↓ MOL2 SDF SMILES Flexibase

38575029

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-acetylphenyl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetami N-(3-acetylphenyl)-2-[[3-(3,4-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)	3.42	9.79	-27.34	1	9	0	108	463.519	8	↓ MOL2 SDF SMILES Flexibase

38575031

Analogs

9415390

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(4-isopropylphenyl)acet 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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)	5.06	11.3	-19.25	1	8	0	91	463.563	8	↓ MOL2 SDF SMILES Flexibase

38575033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(2-methoxy-5-methyl-phe 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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)	3.98	9.48	-18.94	1	9	0	100	465.535	8	↓ MOL2 SDF SMILES Flexibase

38575034

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfan N-(3-chloro-2-methyl-phenyl)-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)	4.57	10.67	-19.11	1	8	0	91	469.954	7	↓ MOL2 SDF SMILES Flexibase

38575036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chlorophenyl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetami N-(2-chlorophenyl)-2-[[3-(3,4-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)	4.17	10.01	-17.76	1	8	0	91	455.927	7	↓ MOL2 SDF SMILES Flexibase

38575038

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(3-fluoro-4-methyl-phen 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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)	4.08	10.08	-19.47	1	8	0	91	453.499	7	↓ MOL2 SDF SMILES Flexibase

38575040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(2-nitrophenyl)acetamid 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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)	3.45	10.45	-19.9	1	11	0	136	466.479	8	↓ MOL2 SDF SMILES Flexibase

38575051

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dimethoxyphenyl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ac N-(3,5-dimethoxyphenyl)-2-[[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)	3.59	7.99	-22.33	1	10	0	109	481.534	9	↓ MOL2 SDF SMILES Flexibase

38575052

Analogs

38575057

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,5-dichlorophenyl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ace N-(2,5-dichlorophenyl)-2-[[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)	4.83	10.53	-18.21	1	8	0	91	490.372	7	↓ MOL2 SDF SMILES Flexibase

38575054

Analogs

9415409

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,5-dichlorophenyl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ace N-(3,5-dichlorophenyl)-2-[[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)	4.83	10.41	-19.73	1	8	0	91	490.372	7	↓ MOL2 SDF SMILES Flexibase

38575056

Analogs

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Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(4-fluoro-3-nitro-pheny 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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)	3.59	10.12	-30.24	1	11	0	136	484.469	8	↓ MOL2 SDF SMILES Flexibase

38575057

Analogs

38575052

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dichlorophenyl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ace N-(2,3-dichlorophenyl)-2-[[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)	4.80	10.48	-17.93	1	8	0	91	490.372	7	↓ MOL2 SDF SMILES Flexibase

38575059

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfan N-(3-chloro-4-fluoro-phenyl)-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)	4.31	9.95	-22.78	1	8	0	91	473.917	7	↓ MOL2 SDF SMILES Flexibase

38575066

Analogs

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Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-methyl-N-phenyl-acetami 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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)	3.79	11.13	-19.88	0	8	0	82	435.509	7	↓ MOL2 SDF SMILES Flexibase

38575072

Analogs

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Popular Name: 2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(3,4-dimethylphenyl)ace 2-[[3-(3,4-dimethoxyphenyl)-[1,2…

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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)	4.37	10.62	-19.57	1	8	0	91	449.536	7	↓ MOL2 SDF SMILES Flexibase

38575075

Analogs

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Popular Name: N-(3,4-difluorophenyl)-2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ace N-(3,4-difluorophenyl)-2-[[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)	3.80	9.51	-24.04	1	8	0	91	457.462	7	↓ MOL2 SDF SMILES Flexibase

38575077

Analogs

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Popular Name: 4-[[2-[[3-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetyl]amino]benzamide 4-[[2-[[3-(3,4-dimethoxyphenyl)-…

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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)	2.36	6.18	-28.11	3	10	0	134	464.507	8	↓ MOL2 SDF SMILES Flexibase

38575090

Analogs

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Popular Name: N-(3-acetylphenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(3-acetylphenyl)-2-[[3-(4-fluo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	10.64	-23.24	1	7	0	89	421.457	6	↓ MOL2 SDF SMILES Flexibase

38575092

Analogs

4164397

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Popular Name: 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(4-isopropylphenyl)acetamide 2-[[3-(4-fluorophenyl)-[1,2,4]tr…

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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)	5.57	12.16	-15.38	1	6	0	72	421.501	6	↓ MOL2 SDF SMILES Flexibase

38575094

Analogs

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Popular Name: 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(2-methoxy-5-methyl-phenyl)a 2-[[3-(4-fluorophenyl)-[1,2,4]tr…

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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)	4.49	10.33	-15.2	1	7	0	81	423.473	6	↓ MOL2 SDF SMILES Flexibase

38575096

Analogs

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Popular Name: N-(3-chloro-2-methyl-phenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ac N-(3-chloro-2-methyl-phenyl)-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)	5.09	11.51	-15.2	1	6	0	72	427.892	5	↓ MOL2 SDF SMILES Flexibase

38575098

Analogs

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Popular Name: N-(2-chlorophenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamide N-(2-chlorophenyl)-2-[[3-(4-fluo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.69	10.85	-13.99	1	6	0	72	413.865	5	↓ MOL2 SDF SMILES Flexibase

38575099

Analogs

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Popular Name: N-(3-fluoro-4-methyl-phenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ac N-(3-fluoro-4-methyl-phenyl)-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)	4.60	10.94	-15.64	1	6	0	72	411.437	5	↓ MOL2 SDF SMILES Flexibase

38575100

Analogs

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Popular Name: 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-(2-nitrophenyl)acetamide 2-[[3-(4-fluorophenyl)-[1,2,4]tr…

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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	11.27	-16.93	1	9	0	118	424.417	6	↓ MOL2 SDF SMILES Flexibase

38575112

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetami N-(3,5-dimethoxyphenyl)-2-[[3-(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)	4.10	8.83	-18.53	1	8	0	91	439.472	7	↓ MOL2 SDF SMILES Flexibase

38575114

Analogs

38575120

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Popular Name: N-(2,5-dichlorophenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(2,5-dichlorophenyl)-2-[[3-(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)	5.34	11.39	-14.34	1	6	0	72	448.31	5	↓ MOL2 SDF SMILES Flexibase

38575116

Analogs

9414930

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Popular Name: N-(3,5-dichlorophenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(3,5-dichlorophenyl)-2-[[3-(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)	5.34	11.26	-15.73	1	6	0	72	448.31	5	↓ MOL2 SDF SMILES Flexibase

38575118

Analogs

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Popular Name: N-(4-fluoro-3-nitro-phenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ace N-(4-fluoro-3-nitro-phenyl)-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)	4.11	10.97	-26.03	1	9	0	118	442.407	6	↓ MOL2 SDF SMILES Flexibase

38575120

Analogs

38575114

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2,3-dichlorophenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(2,3-dichlorophenyl)-2-[[3-(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)	5.32	11.32	-14.19	1	6	0	72	448.31	5	↓ MOL2 SDF SMILES Flexibase

38575122

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]ac N-(3-chloro-4-fluoro-phenyl)-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)	4.83	10.8	-18.67	1	6	0	72	431.855	5	↓ MOL2 SDF SMILES Flexibase

38575133

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]-N-methyl-N-phenyl-acetamide 2-[[3-(4-fluorophenyl)-[1,2,4]tr…

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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)	4.31	11.99	-15.94	0	6	0	63	393.447	5	↓ MOL2 SDF SMILES Flexibase

38575140

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(3,4-dimethylphenyl)-2-[[3-(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)	4.89	11.46	-15.7	1	6	0	72	407.474	5	↓ MOL2 SDF SMILES Flexibase

38575143

Analogs

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Popular Name: N-(3,4-difluorophenyl)-2-[[3-(4-fluorophenyl)-[1,2,4]triazolo[3,4-f]pyridazin-6-yl]sulfanyl]acetamid N-(3,4-difluorophenyl)-2-[[3-(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)	4.32	10.36	-19.89	1	6	0	72	415.4	5	↓ MOL2 SDF SMILES Flexibase

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