ZINC 12

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ZINC Item

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64977559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-[(4-methoxyphenyl)methyl]pro 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)	2.16	10.47	-15.66	1	9	0	99	405.462	7	↓ MOL2 SDF SMILES Flexibase

64977562

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-tolylmethyl)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)	2.55	11.88	-14.32	1	8	0	90	389.463	6	↓ MOL2 SDF SMILES Flexibase

64977570

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]pro 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)	2.13	10.47	-15.78	1	9	0	99	405.462	7	↓ MOL2 SDF SMILES Flexibase

64977571

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-fluorophenyl)methyl]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)	2.26	11.24	-15.23	1	8	0	90	393.426	6	↓ MOL2 SDF SMILES Flexibase

64977586

Analogs

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Popular Name: N-benzyl-3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]propanamide N-benzyl-3-[3,5-dimethyl-1-([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)	2.10	11.17	-14.37	1	8	0	90	375.436	6	↓ MOL2 SDF SMILES Flexibase

64977593

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.92	12.37	-14.29	1	8	0	90	403.49	6	↓ MOL2 SDF SMILES Flexibase

64977594

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.78	11.69	-14.6	1	8	0	90	409.881	6	↓ MOL2 SDF SMILES Flexibase

64977595

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-fluorophenyl)methyl]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)	2.21	11.19	-15.65	1	8	0	90	393.426	6	↓ MOL2 SDF SMILES Flexibase

64977596

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)methyl]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)	2.48	11.47	-15.42	1	9	0	99	419.489	8	↓ MOL2 SDF SMILES Flexibase

64977597

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl N-[(2,4-dimethoxyphenyl)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)	2.14	9.8	-16.68	1	10	0	108	435.488	8	↓ MOL2 SDF SMILES Flexibase

64977598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-[(4-ethoxyphenyl)methyl]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)	2.53	11.43	-15.64	1	9	0	99	419.489	8	↓ MOL2 SDF SMILES Flexibase

64977600

Analogs

Draw Identity 99% 90% 80% 70%

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	11.68	-14.86	1	8	0	90	409.881	6	↓ MOL2 SDF SMILES Flexibase

64977601

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-[(4-isopropoxyphenyl)methyl] 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)	2.90	12.02	-15.43	1	9	0	99	433.516	8	↓ MOL2 SDF SMILES Flexibase

64977602

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3,5-dimethyl-1-([1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]-N-[(2-methoxyphenyl)methyl]pro 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)	2.11	10.51	-15.6	1	9	0	99	405.462	7	↓ MOL2 SDF SMILES Flexibase

64977617

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-[(4-methoxyphenyl)m 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)	2.24	10.3	-16.1	1	9	0	99	419.489	7	↓ MOL2 SDF SMILES Flexibase

64977620

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-(p-tolylmethyl)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)	2.64	11.71	-14.75	1	8	0	90	403.49	6	↓ MOL2 SDF SMILES Flexibase

64977629

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-[(3-methoxyphenyl)m 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)	2.22	10.3	-16.24	1	9	0	99	419.489	7	↓ MOL2 SDF SMILES Flexibase

64977630

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-[(4-fluorophenyl)me 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)	2.35	11.07	-15.71	1	8	0	90	407.453	6	↓ MOL2 SDF SMILES Flexibase

64977648

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyrazol-4-yl]propanamide N-benzyl-3-[3,5-dimethyl-1-(3-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)	2.19	11	-14.81	1	8	0	90	389.463	6	↓ MOL2 SDF SMILES Flexibase

64977657

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-dimethylpheny 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)	3.01	12.2	-14.71	1	8	0	90	417.517	6	↓ MOL2 SDF SMILES Flexibase

64977658

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.87	11.52	-15.13	1	8	0	90	423.908	6	↓ MOL2 SDF SMILES Flexibase

64977659

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-fluorophenyl)me 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)	2.30	11.02	-16.04	1	8	0	90	407.453	6	↓ MOL2 SDF SMILES Flexibase

64977660

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)me 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)	2.57	11.3	-15.85	1	9	0	99	433.516	8	↓ MOL2 SDF SMILES Flexibase

64977661

Analogs

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Popular Name: N-[(2,4-dimethoxyphenyl)methyl]-3-[3,5-dimethyl-1-(3-methyl-[1,2,4]triazolo[3,4-f]pyridazin-6-yl)pyr N-[(2,4-dimethoxyphenyl)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)	2.23	9.63	-17.13	1	10	0	108	449.515	8	↓ MOL2 SDF SMILES Flexibase

64977662

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)me 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	11.26	-16.09	1	9	0	99	433.516	8	↓ MOL2 SDF SMILES Flexibase

64977664

Analogs

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

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.84	11.51	-15.26	1	8	0	90	423.908	6	↓ MOL2 SDF SMILES Flexibase

64977665

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-[(4-isopropoxypheny 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)	2.98	11.85	-15.96	1	9	0	99	447.543	8	↓ MOL2 SDF SMILES Flexibase

64977666

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-methoxyphenyl)m 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)	2.20	10.34	-16.04	1	9	0	99	419.489	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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