ZINC 12

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ZINC Item

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53581697

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N,N-diethyl-2-phenyl-2-(tetrazolo[5,1-f]pyridazin-6-ylamino)acetamide (2R)-N,N-diethyl-2-phenyl-2-(tet…

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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	6.44	-14.14	1	8	0	88	325.376	6	↓ MOL2 SDF SMILES Flexibase

53581699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N,N-diethyl-2-phenyl-2-(tetrazolo[5,1-f]pyridazin-6-ylamino)acetamide (2S)-N,N-diethyl-2-phenyl-2-(tet…

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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	6.68	-14.73	1	8	0	88	325.376	6	↓ 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

24990229

Analogs

12562521

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-diethylaminophenyl)methyl]-N-methyl-tetrazolo[5,1-f]pyridazin-6-amine N-[(4-diethylaminophenyl)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)	2.59	8.6	-15.91	0	7	0	62	311.393	6	↓ MOL2 SDF SMILES Flexibase

57993108

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-prop-2-ynyl-N-(p-tolylmethyl)tetrazolo[5,1-f]pyridazin-6-amine N-prop-2-ynyl-N-(p-tolylmethyl)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)	2.35	8.61	-15.7	0	6	0	59	278.319	4	↓ MOL2 SDF SMILES Flexibase

52408292

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-(2-dimethylaminoethyloxy)phenyl]methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[[3-(2-dimethylaminoethyloxy)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)	1.56	6.33	-50.72	2	8	1	82	314.373	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.56	3.81	-16.12	1	8	0	80	313.365	7	↓ MOL2 SDF SMILES Flexibase

52428696

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[2-(propoxymethyl)phenyl]methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[[2-(propoxymethyl)phenyl]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)	2.28	6.26	-14.75	1	7	0	77	298.35	7	↓ MOL2 SDF SMILES Flexibase

52429479

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.07	5.05	-18.84	1	8	0	86	336.302	7	↓ MOL2 SDF SMILES Flexibase

14232337

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	2.17	4.95	-17.37	1	6	0	68	260.688	3	↓ MOL2 SDF SMILES Flexibase

52447996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(2-diethylaminoethyloxy)-3-methoxy-phenyl]methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[[4-(2-diethylaminoethyloxy)-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)	1.92	7.55	-49.72	2	9	1	91	372.453	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.92	5.06	-18.25	1	9	0	90	371.445	10	↓ MOL2 SDF SMILES Flexibase

52471876

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,3-dimethoxyphenyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(2,3-dimethoxyphenyl)methyl]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)	1.31	4.32	-18.03	1	8	0	86	286.295	5	↓ MOL2 SDF SMILES Flexibase

14249957

Analogs

14249959

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-fluorophenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-1-(4-fluorophenyl)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)	2.22	5.24	-17.58	1	6	0	68	258.26	3	↓ MOL2 SDF SMILES Flexibase

14249959

Analogs

14249957

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-fluorophenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-1-(4-fluorophenyl)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)	2.22	5.23	-17.61	1	6	0	68	258.26	3	↓ MOL2 SDF SMILES Flexibase

65547914

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-methoxyphenyl)pentyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-1-(4-methoxyphenyl)penty…

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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)	3.68	6.84	-16.05	1	7	0	77	312.377	7	↓ MOL2 SDF SMILES Flexibase

65547917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-methoxyphenyl)pentyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-1-(4-methoxyphenyl)penty…

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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)	3.68	6.84	-16	1	7	0	77	312.377	7	↓ MOL2 SDF SMILES Flexibase

69927678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-[ethyl(methyl)amino]-3-fluoro-phenyl]methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[[4-[ethyl(methyl)amino]-3-flu…

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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	6.52	-16.2	1	7	0	71	301.329	5	↓ MOL2 SDF SMILES Flexibase

69929408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-2-methoxy-1-[3-(trifluor…

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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)	2.53	5.69	-16.36	1	7	0	77	338.293	6	↓ MOL2 SDF SMILES Flexibase

69929411

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-methoxy-1-[3-(trifluoromethyl)phenyl]ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-2-methoxy-1-[3-(trifluor…

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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)	2.53	5.7	-16.29	1	7	0	77	338.293	6	↓ MOL2 SDF SMILES Flexibase

48962822

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(3-chloro-4-fluoro-phenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-1-(3-chloro-4-fluoro-phe…

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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)	2.82	6.02	-18.59	1	6	0	68	292.705	3	↓ MOL2 SDF SMILES Flexibase

48962824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(3-chloro-4-fluoro-phenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-1-(3-chloro-4-fluoro-phe…

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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)	2.82	6.02	-18.53	1	6	0	68	292.705	3	↓ MOL2 SDF SMILES Flexibase

48962880

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	5.67	-15.58	1	6	0	68	272.337	4	↓ MOL2 SDF SMILES Flexibase

49228675

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	1.45	5.37	-20.24	1	9	0	114	271.24	4	↓ MOL2 SDF SMILES Flexibase

49228916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-bromo-5-fluoro-phenyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(2-bromo-5-fluoro-phenyl)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)	2.40	5.22	-14.63	1	6	0	68	323.129	3	↓ MOL2 SDF SMILES Flexibase

49320592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(4-bromo-2-chloro-phenyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(4-bromo-2-chloro-phenyl)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)	2.91	5.7	-14.54	1	6	0	68	339.584	3	↓ MOL2 SDF SMILES Flexibase

49321316

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2-bromo-5-methoxy-phenyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(2-bromo-5-methoxy-phenyl)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)	2.29	4.52	-15.04	1	7	0	77	335.165	4	↓ MOL2 SDF SMILES Flexibase

49321893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-methoxy-4-methyl-phenyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(3-methoxy-4-methyl-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)	1.93	4.69	-15.66	1	7	0	77	270.296	4	↓ MOL2 SDF SMILES Flexibase

49389920

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3-nitrophenyl)methyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(3-nitrophenyl)methyl]tetrazo…

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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)	1.43	5.37	-20.6	1	9	0	114	271.24	4	↓ MOL2 SDF SMILES Flexibase

49389979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(4-bromophenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-1-(4-bromophenyl)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)	2.86	6.08	-15.82	1	6	0	68	319.166	3	↓ MOL2 SDF SMILES Flexibase

49389983

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-bromophenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-1-(4-bromophenyl)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)	2.86	6.08	-15.81	1	6	0	68	319.166	3	↓ MOL2 SDF SMILES Flexibase

42099518

Analogs

42099519

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-(2,5-difluorophenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-1-(2,5-difluorophenyl)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)	2.31	5.61	-16.59	1	6	0	68	276.25	3	↓ MOL2 SDF SMILES Flexibase

42099519

Analogs

42099518

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(2,5-difluorophenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-1-(2,5-difluorophenyl)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)	2.31	5.59	-16.51	1	6	0	68	276.25	3	↓ MOL2 SDF SMILES Flexibase

42099863

Analogs

42099864

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(1S)-1-(tetrazolo[5,1-f]pyridazin-6-ylamino)ethyl]benzonitrile 4-[(1S)-1-(tetrazolo[5,1-f]pyrid…

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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)	1.81	5.85	-19.76	1	7	0	92	265.28	3	↓ MOL2 SDF SMILES Flexibase

42099864

Analogs

42099863

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Popular Name: 4-[(1R)-1-(tetrazolo[5,1-f]pyridazin-6-ylamino)ethyl]benzonitrile 4-[(1R)-1-(tetrazolo[5,1-f]pyrid…

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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)	1.81	5.84	-19.79	1	7	0	92	265.28	3	↓ MOL2 SDF SMILES Flexibase

42102790

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42102793

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Popular Name: N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1S)-1-(4-methylsulfanylpheny…

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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	6.48	-16.02	1	6	0	68	286.364	4	↓ MOL2 SDF SMILES Flexibase

42102793

Analogs

42102790

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-(4-methylsulfanylphenyl)ethyl]tetrazolo[5,1-f]pyridazin-6-amine N-[(1R)-1-(4-methylsulfanylpheny…

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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	6.47	-15.98	1	6	0	68	286.364	4	↓ MOL2 SDF SMILES Flexibase

42104067

Analogs

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Popular Name: 3-[(tetrazolo[5,1-f]pyridazin-6-ylamino)methyl]benzonitrile 3-[(tetrazolo[5,1-f]pyridazin-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)	1.23	5.03	-19.22	1	7	0	92	251.253	3	↓ MOL2 SDF SMILES Flexibase

42111175

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Popular Name: N-[(2-chlorophenyl)methyl]-N-ethyl-tetrazolo[5,1-f]pyridazin-6-amine N-[(2-chlorophenyl)methyl]-N-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)	2.75	8.18	-15.59	0	6	0	59	288.742	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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