ZINC 12

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)	2.30	7.8	-19.92	0	7	0	74	265.28	1	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.30	8.26	-60.76	1	7	1	75	266.288	1	↓ MOL2 SDF SMILES Flexibase

22357633

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(morpholinomethyl)phenyl]methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[[4-(morpholinomethyl)phenyl]m…

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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)	1.14	3.55	-17.13	1	8	0	80	325.376	5	↓ MOL2 SDF SMILES Flexibase

22357634

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[4-[bis(4-fluorophenyl)methyl]piperazin-1-yl]tetrazolo[5,1-f]pyridazine 6-[4-[bis(4-fluorophenyl)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)	3.74	8.63	-17.41	0	7	0	62	407.428	4	↓ MOL2 SDF SMILES Flexibase

22357672

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-morpholino-1-(p-tolyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-2-morpholino-1-(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)	2.00	4.48	-15.51	1	8	0	80	339.403	5	↓ MOL2 SDF SMILES Flexibase

22357674

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-morpholino-1-(p-tolyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-2-morpholino-1-(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)	2.00	4.21	-15.24	1	8	0	80	339.403	5	↓ MOL2 SDF SMILES Flexibase

22357676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-morpholino-1-phenyl-ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-2-morpholino-1-phenyl-et…

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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)	1.55	4.07	-16.1	1	8	0	80	325.376	5	↓ MOL2 SDF SMILES Flexibase

22357678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-morpholino-1-phenyl-ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-2-morpholino-1-phenyl-et…

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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)	1.55	4	-16.12	1	8	0	80	325.376	5	↓ MOL2 SDF SMILES Flexibase

12537190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-pentylphenyl)tetrazolo[5,1-f]pyridazin-6-amine N-(4-pentylphenyl)tetrazolo[5,1-…

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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)	4.60	8.44	-16.3	1	6	0	68	282.351	6	↓ MOL2 SDF SMILES Flexibase

12538460

Analogs

25539894
25540109

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-pyridyl)-1-(tetrazolo[5,1-f]pyridazin-6-yl)piperidine-4-carboxamide N-(2-pyridyl)-1-(tetrazolo[5,1-f…

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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)	1.02	4.83	-26.02	1	9	0	101	324.348	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.02	4.58	-47.66	2	9	1	102	325.356	3	↓ MOL2 SDF SMILES Flexibase

12539192

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 6-[5-(4-fluorophenyl)-1-isobutyl-imidazol-2-yl]sulfanyltetrazolo[5,1-f]pyridazine 6-[5-(4-fluorophenyl)-1-isobutyl…

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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)	3.87	9.85	-19.56	0	7	0	74	369.429	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.87	10.11	-39.74	1	7	1	75	370.437	5	↓ MOL2 SDF SMILES Flexibase

12854379

Analogs

12854384
43766062
43766063

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Popular Name: (2R)-N',N'-dimethyl-3-phenyl-N-(tetrazolo[5,1-f]pyridazin-6-yl)propane-1,2-diamine (2R)-N',N'-dimethyl-3-phenyl-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)	1.92	6.96	-61.25	2	7	1	72	298.374	6	↓ MOL2 SDF SMILES Flexibase

12854384

Analogs

43766062
43766063
12854379

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N',N'-dimethyl-3-phenyl-N-(tetrazolo[5,1-f]pyridazin-6-yl)propane-1,2-diamine (2S)-N',N'-dimethyl-3-phenyl-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)	1.92	7.38	-59.96	2	7	1	72	298.374	6	↓ MOL2 SDF SMILES Flexibase

12854975

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-butyl-N-phenyl-1-(tetrazolo[5,1-f]pyridazin-6-yl)piperidine-4-carboxamide N-butyl-N-phenyl-1-(tetrazolo[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)	3.60	8.68	-21.45	0	8	0	80	379.468	6	↓ MOL2 SDF SMILES Flexibase

12855178

Analogs

12855186

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(4-fluorophenyl)-2-morpholino-ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(2S)-2-(4-fluorophenyl)-2-mor…

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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)	1.72	3.92	-19.19	1	8	0	80	343.366	5	↓ MOL2 SDF SMILES Flexibase

12855186

Analogs

12855178

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4-fluorophenyl)-2-morpholino-ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(2R)-2-(4-fluorophenyl)-2-mor…

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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)	1.72	4.18	-18.55	1	8	0	80	343.366	5	↓ MOL2 SDF SMILES Flexibase

13008102

Analogs

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Popular Name: (8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(tetrazolo[5,1-f]pyridazin-6-yl)-4-piperidyl]methanone (8-methyl-3,4-dihydro-2H-quinoli…

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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	7.72	-19.52	0	8	0	80	377.452	2	↓ MOL2 SDF SMILES Flexibase

13009568

Analogs

12795044

Draw Identity 99% 90% 80% 70%

Popular Name: N-(1,1-dimethylpropyl)tetrazolo[5,1-f]pyridazin-6-amine N-(1,1-dimethylpropyl)tetrazolo[…

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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)	1.78	2.79	-12.68	1	6	0	68	206.253	3	↓ MOL2 SDF SMILES Flexibase

13009575

Analogs

13009576

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(tetrazolo[5,1-f]pyridazin-6-yl)piperidine-2-carboxamide (2S)-1-(tetrazolo[5,1-f]pyridazi…

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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)	0.53	-0.52	-23.96	2	8	0	102	247.262	2	↓ MOL2 SDF SMILES Flexibase

13009576

Analogs

13009575

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(tetrazolo[5,1-f]pyridazin-6-yl)piperidine-2-carboxamide (2R)-1-(tetrazolo[5,1-f]pyridazi…

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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)	0.53	-0.01	-19.75	2	8	0	102	247.262	2	↓ MOL2 SDF SMILES Flexibase

13009578

Analogs

13009580

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1R)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-methyl-N-[(1R)-1-[4-(1,2,4-tri…

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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)	1.10	9.09	-24.45	0	9	0	90	321.348	4	↓ MOL2 SDF SMILES Flexibase

13009580

Analogs

13009578

Draw Identity 99% 90% 80% 70%

Popular Name: N-methyl-N-[(1S)-1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-methyl-N-[(1S)-1-[4-(1,2,4-tri…

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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)	1.10	9.35	-23.85	0	9	0	90	321.348	4	↓ MOL2 SDF SMILES Flexibase

13009581

Analogs

13009583

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-(4-fluorophenyl)-(2-thienyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(R)-(4-fluorophenyl)-(2-thien…

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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)	3.34	7.34	-18.21	1	6	0	68	326.36	4	↓ MOL2 SDF SMILES Flexibase

13009583

Analogs

13009581

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-(4-fluorophenyl)-(2-thienyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(S)-(4-fluorophenyl)-(2-thien…

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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)	3.34	7.35	-18.25	1	6	0	68	326.36	4	↓ MOL2 SDF SMILES Flexibase

13010330

Analogs

13010332

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-phenyl-(2-thienyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(S)-phenyl-(2-thienyl)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)	3.17	7.27	-15.91	1	6	0	68	308.37	4	↓ MOL2 SDF SMILES Flexibase

13010332

Analogs

13010330

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-phenyl-(2-thienyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(R)-phenyl-(2-thienyl)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)	3.17	7.27	-15.91	1	6	0	68	308.37	4	↓ MOL2 SDF SMILES Flexibase

13010334

Analogs

13010335

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-1-(2,5-dimethoxyphenyl)e…

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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)	2.10	3.84	-15.54	1	8	0	86	300.322	5	↓ MOL2 SDF SMILES Flexibase

13010335

Analogs

13010334

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-dimethoxyphenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-1-(2,5-dimethoxyphenyl)e…

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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)	2.10	3.85	-15.48	1	8	0	86	300.322	5	↓ MOL2 SDF SMILES Flexibase

13010336

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[(4-isopropylphenyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-cyclopropyl-N-[(4-isopropylphe…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	9.66	-14.95	0	6	0	59	308.389	5	↓ MOL2 SDF SMILES Flexibase

13010338

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-N-[[4-(difluoromethoxy)-3-methoxy-phenyl]methyl]tetrazolo[5,1-f]pyridazin-6-amine N-cyclopropyl-N-[[4-(difluoromet…

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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)	2.31	6.97	-21.79	0	8	0	78	362.34	7	↓ MOL2 SDF SMILES Flexibase

13010339

Analogs

13010341

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(benzofuran-2-yl)ethyl]-N-methyl-tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-1-(benzofuran-2-yl)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)	2.86	7.4	-19.25	0	7	0	72	294.318	3	↓ MOL2 SDF SMILES Flexibase

13010341

Analogs

13010339

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(benzofuran-2-yl)ethyl]-N-methyl-tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-1-(benzofuran-2-yl)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)	2.86	7.4	-19.01	0	7	0	72	294.318	3	↓ MOL2 SDF SMILES Flexibase

13012600

Analogs

25525611
25538823

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(tetrazolo[5,1-f]pyridazin-6-yl)-N-[3-(trifluoromethoxy)phenyl]piperidine-4-carboxamide 1-(tetrazolo[5,1-f]pyridazin-6-y…

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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)	2.86	4.93	-21.13	1	9	0	98	407.356	5	↓ MOL2 SDF SMILES Flexibase

13012689

Analogs

13012690

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(S)-benzofuran-2-yl-phenyl-methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(S)-benzofuran-2-yl-phenyl-me…

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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)	3.84	8.86	-19.51	1	7	0	81	342.362	4	↓ MOL2 SDF SMILES Flexibase

13012690

Analogs

13012689

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(R)-benzofuran-2-yl-phenyl-methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(R)-benzofuran-2-yl-phenyl-me…

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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)	3.84	8.85	-19.5	1	7	0	81	342.362	4	↓ MOL2 SDF SMILES Flexibase

13013061

Analogs

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Popular Name: N-cyclopropyl-N-(2-furylmethyl)tetrazolo[5,1-f]pyridazin-6-amine N-cyclopropyl-N-(2-furylmethyl)t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.36	5.98	-15.28	0	7	0	72	256.269	4	↓ MOL2 SDF SMILES Flexibase

54448088

Analogs

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Popular Name: N-[2-(3,4-diethoxyphenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[2-(3,4-diethoxyphenyl)ethyl]t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	6.46	-22.09	1	8	0	86	328.376	8	↓ MOL2 SDF SMILES Flexibase

54448144

Analogs

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Popular Name: 6-(5-tert-butyl-2-methyl-phenyl)sulfanyltetrazolo[5,1-f]pyridazine 6-(5-tert-butyl-2-methyl-phenyl)…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.45	8.03	-13.13	0	5	0	56	299.403	3	↓ MOL2 SDF SMILES Flexibase

54448350

Analogs

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Popular Name: N,N-diethyl-4-(tetrazolo[5,1-f]pyridazin-6-ylamino)benzamide N,N-diethyl-4-(tetrazolo[5,1-f]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)	1.95	6.4	-22.08	1	8	0	88	311.349	5	↓ MOL2 SDF SMILES Flexibase

54448605

Analogs

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Popular Name: N-[2-(4-tert-butylphenoxy)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[2-(4-tert-butylphenoxy)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)	3.48	6.58	-15.57	1	7	0	77	312.377	6	↓ MOL2 SDF SMILES Flexibase

54448628

Analogs

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Popular Name: N-cyclopropyl-N-[(4-methoxyphenyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-cyclopropyl-N-[(4-methoxypheny…

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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	6.75	-17.69	0	7	0	68	296.334	5	↓ MOL2 SDF SMILES Flexibase

54448639

Analogs

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Popular Name: N-[(1S)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-1-(2,3-dihydro-1,4-benzo…

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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)	2.31	5.72	-18.47	1	8	0	86	326.36	4	↓ MOL2 SDF SMILES Flexibase

54448642

Analogs

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Popular Name: N-[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-1-(2,3-dihydro-1,4-benzo…

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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)	2.31	5.79	-18.73	1	8	0	86	326.36	4	↓ MOL2 SDF SMILES Flexibase

54448668

Analogs

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Popular Name: N-[(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(6-chloro-3,4-dihydro-2H-1,5-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.08	5.14	-17.48	1	8	0	86	332.751	3	↓ MOL2 SDF SMILES Flexibase

54448709

Analogs

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Popular Name: N-[3-[(1S)-1-phenylethoxy]propyl]tetrazolo[5,1-f]pyridazin-6-amine N-[3-[(1S)-1-phenylethoxy]propyl…

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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)	2.31	6.26	-16.71	1	7	0	77	298.35	7	↓ MOL2 SDF SMILES Flexibase

54448711

Analogs

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Popular Name: N-[3-[(1R)-1-phenylethoxy]propyl]tetrazolo[5,1-f]pyridazin-6-amine N-[3-[(1R)-1-phenylethoxy]propyl…

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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)	2.31	6.24	-16.7	1	7	0	77	298.35	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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