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ZINC Item

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64977551

Analogs

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Popular Name: N-(2,3-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]propanam N-(2,3-dimethylphenyl)-3-[3,5-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)	3.20	12.49	-15.88	1	8	0	90	389.463	5	↓ MOL2 SDF SMILES Flexibase

64977552

Analogs

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Popular Name: ethyl 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)	2.92	12.65	-22.26	1	10	0	116	433.472	8	↓ MOL2 SDF SMILES Flexibase

64977553

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(2-ethylphenyl)propanamide 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	3.27	12.75	-15.19	1	8	0	90	389.463	6	↓ MOL2 SDF SMILES Flexibase

64977554

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(4-ethylphenyl)propanamide 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	3.31	12.52	-15.58	1	8	0	90	389.463	6	↓ MOL2 SDF SMILES Flexibase

64977555

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	2.54	11.12	-17.84	1	8	0	90	379.399	5	↓ MOL2 SDF SMILES Flexibase

64977556

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methyl-phenyl)pr 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	2.94	12.04	-17.72	1	8	0	90	393.426	5	↓ MOL2 SDF SMILES Flexibase

64977563

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)propanamide 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	2.83	11.3	-16.69	1	9	0	99	405.462	7	↓ MOL2 SDF SMILES Flexibase

64977567

Analogs

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Popular Name: N-(2,5-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]propanam N-(2,5-dimethylphenyl)-3-[3,5-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)	3.22	12.6	-15.79	1	8	0	90	389.463	5	↓ MOL2 SDF SMILES Flexibase

64977568

Analogs

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Popular Name: N-(3,4-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]propanam N-(3,4-dimethylphenyl)-3-[3,5-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)	3.22	12.3	-15.9	1	8	0	90	389.463	5	↓ MOL2 SDF SMILES Flexibase

64977569

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(3-methylsulfanylphenyl)prop 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	2.81	12.07	-17.96	1	8	0	90	407.503	6	↓ MOL2 SDF SMILES Flexibase

64977572

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(4-isopropylphenyl)propanami 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	3.91	12.97	-15.31	1	8	0	90	403.49	6	↓ MOL2 SDF SMILES Flexibase

64977573

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide 3-[3,5-dimethyl-1-([1,2,4]triazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	12.51	-15.5	1	8	0	90	389.463	6	↓ MOL2 SDF SMILES Flexibase

64977575

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(3-fluoro-4-methyl-phenyl)pr 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	2.94	11.78	-15.46	1	8	0	90	393.426	5	↓ MOL2 SDF SMILES Flexibase

64977576

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(2-ethoxyphenyl)propanamide 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	2.78	11.44	-15.04	1	9	0	99	405.462	7	↓ MOL2 SDF SMILES Flexibase

64977580

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(2-methoxy-5-methyl-phenyl)p 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	2.83	11.18	-15.5	1	9	0	99	405.462	6	↓ MOL2 SDF SMILES Flexibase

64977581

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]p N-(3-chloro-4-methoxy-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)	3.06	10.9	-18.98	1	9	0	99	425.88	6	↓ MOL2 SDF SMILES Flexibase

64977582

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(4-fluoro-2-methyl-phenyl)pr 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	2.94	12.04	-16.23	1	8	0	90	393.426	5	↓ MOL2 SDF SMILES Flexibase

64977583

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(p-tolyl)propanamide 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	2.85	11.75	-15.78	1	8	0	90	375.436	5	↓ MOL2 SDF SMILES Flexibase

64977584

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(o-tolyl)propanamide 3-[3,5-dimethyl-1-([1,2,4]triazo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.80	11.97	-15.68	1	8	0	90	375.436	5	↓ MOL2 SDF SMILES Flexibase

64977585

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(m-tolyl)propanamide 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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	11.75	-15.71	1	8	0	90	375.436	5	↓ MOL2 SDF SMILES Flexibase

64977587

Analogs

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Popular Name: methyl 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)	2.57	11.71	-19.93	1	10	0	116	419.445	7	↓ MOL2 SDF SMILES Flexibase

64977588

Analogs

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Popular Name: ethyl 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)	2.94	12.66	-18.72	1	10	0	116	433.472	8	↓ MOL2 SDF SMILES Flexibase

64977589

Analogs

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Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(2-methoxyphenyl)propanamide 3-[3,5-dimethyl-1-([1,2,4]triazo…

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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)	2.41	10.46	-15.46	1	9	0	99	391.435	6	↓ MOL2 SDF SMILES Flexibase

64977591

Analogs

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Popular Name: N-(3-bromophenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]propanamide N-(3-bromophenyl)-3-[3,5-dimethy…

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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)	3.18	11.67	-16.79	1	8	0	90	440.305	5	↓ MOL2 SDF SMILES Flexibase

64977592

Analogs

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Popular Name: N-(2,4-dimethylphenyl)-3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]propanam N-(2,4-dimethylphenyl)-3-[3,5-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)	3.22	12.64	-15.68	1	8	0	90	389.463	5	↓ MOL2 SDF SMILES Flexibase

64977607

Analogs

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Popular Name: N-(2,4-dimethoxyphenyl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-y N-(2,4-dimethoxyphenyl)-3-[3,5-d…

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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	9.57	-16.49	1	10	0	108	435.488	7	↓ MOL2 SDF SMILES Flexibase

64977608

Analogs

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Popular Name: N-(3,5-dimethoxyphenyl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-y N-(3,5-dimethoxyphenyl)-3-[3,5-d…

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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	9.49	-18.92	1	10	0	108	435.488	7	↓ MOL2 SDF SMILES Flexibase

64977609

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(2,3-dimethylphenyl 3-[3,5-dimethyl-1-(3-methyl-[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)	3.29	12.32	-16.27	1	8	0	90	403.49	5	↓ MOL2 SDF SMILES Flexibase

64977610

Analogs

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Popular Name: ethyl 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)	3.01	12.48	-22.66	1	10	0	116	447.499	8	↓ MOL2 SDF SMILES Flexibase

64977611

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(2-ethylphenyl)prop 3-[3,5-dimethyl-1-(3-methyl-[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)	3.35	12.58	-15.62	1	8	0	90	403.49	6	↓ MOL2 SDF SMILES Flexibase

64977612

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(4-ethylphenyl)prop 3-[3,5-dimethyl-1-(3-methyl-[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)	3.40	12.35	-15.99	1	8	0	90	403.49	6	↓ MOL2 SDF SMILES Flexibase

64977613

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(3-fluorophenyl)pro 3-[3,5-dimethyl-1-(3-methyl-[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)	2.62	10.95	-18.3	1	8	0	90	393.426	5	↓ MOL2 SDF SMILES Flexibase

64977614

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(5-fluoro-2-methyl- 3-[3,5-dimethyl-1-(3-methyl-[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)	3.03	11.87	-18.11	1	8	0	90	407.453	5	↓ MOL2 SDF SMILES Flexibase

64977621

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(4-ethoxyphenyl)pro 3-[3,5-dimethyl-1-(3-methyl-[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)	2.92	11.13	-17.07	1	9	0	99	419.489	7	↓ MOL2 SDF SMILES Flexibase

64977626

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(2,5-dimethylphenyl 3-[3,5-dimethyl-1-(3-methyl-[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)	3.31	12.43	-16.23	1	8	0	90	403.49	5	↓ MOL2 SDF SMILES Flexibase

64977627

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(3,4-dimethylphenyl 3-[3,5-dimethyl-1-(3-methyl-[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)	3.31	12.14	-16.34	1	8	0	90	403.49	5	↓ MOL2 SDF SMILES Flexibase

64977628

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(3-methylsulfanylph 3-[3,5-dimethyl-1-(3-methyl-[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)	2.90	11.9	-18.46	1	8	0	90	421.53	6	↓ MOL2 SDF SMILES Flexibase

64977631

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(4-isopropylphenyl) 3-[3,5-dimethyl-1-(3-methyl-[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)	4.00	12.8	-15.73	1	8	0	90	417.517	6	↓ MOL2 SDF SMILES Flexibase

64977632

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(3-ethylphenyl)prop 3-[3,5-dimethyl-1-(3-methyl-[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)	3.38	12.35	-15.91	1	8	0	90	403.49	6	↓ MOL2 SDF SMILES Flexibase

64977635

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(3-fluoro-4-methyl- 3-[3,5-dimethyl-1-(3-methyl-[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)	3.03	11.61	-15.88	1	8	0	90	407.453	5	↓ MOL2 SDF SMILES Flexibase

64977636

Analogs

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Popular Name: N-(3-chloro-4-fluoro-phenyl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazo N-(3-chloro-4-fluoro-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)	3.25	11.45	-18.55	1	8	0	90	427.871	5	↓ MOL2 SDF SMILES Flexibase

64977637

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(2-ethoxyphenyl)pro 3-[3,5-dimethyl-1-(3-methyl-[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)	2.87	11.27	-15.5	1	9	0	99	419.489	7	↓ MOL2 SDF SMILES Flexibase

64977641

Analogs

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Popular Name: N-(2-chloro-4-fluoro-phenyl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazo N-(2-chloro-4-fluoro-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)	3.25	11.58	-14.29	1	8	0	90	427.871	5	↓ MOL2 SDF SMILES Flexibase

64977642

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(2-methoxy-5-methyl 3-[3,5-dimethyl-1-(3-methyl-[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)	2.92	11.01	-15.89	1	9	0	99	419.489	6	↓ MOL2 SDF SMILES Flexibase

64977643

Analogs

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Popular Name: N-(3-chloro-4-methoxy-phenyl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyraz N-(3-chloro-4-methoxy-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)	3.15	10.73	-19.46	1	9	0	99	439.907	6	↓ MOL2 SDF SMILES Flexibase

64977644

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(4-fluoro-2-methyl- 3-[3,5-dimethyl-1-(3-methyl-[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)	3.03	11.87	-16.72	1	8	0	90	407.453	5	↓ MOL2 SDF SMILES Flexibase

64977645

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(p-tolyl)propanamid 3-[3,5-dimethyl-1-(3-methyl-[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)	2.93	11.58	-16.18	1	8	0	90	389.463	5	↓ MOL2 SDF SMILES Flexibase

64977646

Analogs

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Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(o-tolyl)propanamid 3-[3,5-dimethyl-1-(3-methyl-[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)	2.89	11.8	-16.05	1	8	0	90	389.463	5	↓ MOL2 SDF SMILES Flexibase

64977647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-(m-tolyl)propanamid 3-[3,5-dimethyl-1-(3-methyl-[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)	2.91	11.58	-16.11	1	8	0	90	389.463	5	↓ MOL2 SDF SMILES Flexibase

64977649

Analogs

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Popular Name: N-(4-acetamidophenyl)-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl] N-(4-acetamidophenyl)-3-[3,5-dim…

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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)	1.70	9.79	-23.9	2	10	0	119	432.488	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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