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ZINC Item

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2805458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(4-methylpyrazol-1-yl)…

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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	1.01	-11.99	0	6	0	60	278.319	2	↓ MOL2 SDF SMILES Flexibase

2805459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(4-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(4-methylpyrazol-1-yl)…

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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	1.01	-11.96	0	6	0	60	278.319	2	↓ MOL2 SDF SMILES Flexibase

2805496

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(3,5-dimethyl-4-nitro-pyrazol…

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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)	1.65	1.29	-13.78	0	9	0	106	323.316	3	↓ MOL2 SDF SMILES Flexibase

2805617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chloro-3,5-dimethyl-pyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(4-chloro-3,5-dimethyl-pyrazo…

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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)	2.37	0.58	-12.1	0	6	0	60	312.764	2	↓ MOL2 SDF SMILES Flexibase

2806226

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(3-methyl-4-nitro-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(3-methyl-4-nitro-pyra…

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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)	1.79	1.24	-12.72	0	9	0	106	323.316	3	↓ MOL2 SDF SMILES Flexibase

2806227

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(3-methyl-4-nitro-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(3-methyl-4-nitro-pyra…

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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)	1.79	1.24	-12.76	0	9	0	106	323.316	3	↓ MOL2 SDF SMILES Flexibase

2806273

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[1-methyl-1-(4-nitropyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[1-methyl-1-(4-nitropyrazol-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)	2.02	1.85	-14.45	0	9	0	106	323.316	3	↓ MOL2 SDF SMILES Flexibase

2806302

Analogs

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Popular Name: 2-[[3-(difluoromethyl)-5-methyl-pyrazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[[3-(difluoromethyl)-5-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)	2.32	1.98	-13.78	0	6	0	60	314.299	3	↓ MOL2 SDF SMILES Flexibase

2806311

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(3,5-dimethyl-4-nitro-…

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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)	2.01	1.57	-13.39	0	9	0	106	337.343	3	↓ MOL2 SDF SMILES Flexibase

2806312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(3,5-dimethyl-4-nitro-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(3,5-dimethyl-4-nitro-…

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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)	2.01	1.57	-13.47	0	9	0	106	337.343	3	↓ MOL2 SDF SMILES Flexibase

2806334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-methyl-3-nitro-pyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(5-methyl-3-nitro-pyrazol-1-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)	1.62	1.29	-16.56	0	9	0	106	309.289	3	↓ MOL2 SDF SMILES Flexibase

2806340

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[[4-bromo-5-methyl-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)	3.41	9.87	-12.77	0	6	0	61	411.185	3	↓ MOL2 SDF SMILES Flexibase

2806344

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methylpyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(3-methylpyrazol-1-yl)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)	1.54	0.67	-14.07	0	6	0	60	264.292	2	↓ MOL2 SDF SMILES Flexibase

2806398

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5-methylpyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(5-methylpyrazol-1-yl)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)	1.54	0.61	-12.03	0	6	0	60	264.292	2	↓ MOL2 SDF SMILES Flexibase

2806399

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3,5-dimethylpyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(3,5-dimethylpyrazol-1-yl)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)	1.76	0.75	-12.62	0	6	0	60	278.319	2	↓ MOL2 SDF SMILES Flexibase

2806435

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(4-nitropyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(4-nitropyrazol-1-yl)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)	1.57	1.18	-12.8	0	9	0	106	309.289	3	↓ MOL2 SDF SMILES Flexibase

2806436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(4-nitropyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(4-nitropyrazol-1-yl)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)	1.57	1.18	-12.81	0	9	0	106	309.289	3	↓ MOL2 SDF SMILES Flexibase

2806453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(4-bromo-3,5-dimethyl-pyrazol…

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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)	2.50	-0.02	-12.08	0	6	0	60	357.215	2	↓ MOL2 SDF SMILES Flexibase

2806461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-methylpyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(4-methylpyrazol-1-yl)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)	1.70	0.88	-13.35	0	6	0	60	264.292	2	↓ MOL2 SDF SMILES Flexibase

2806470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-nitropyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(3-nitropyrazol-1-yl)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)	1.40	1.2	-19.88	0	9	0	106	295.262	3	↓ MOL2 SDF SMILES Flexibase

2806488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[[4-chloro-5-methyl-3-(trifluo…

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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)	3.28	2.46	-12.73	0	6	0	60	366.734	3	↓ MOL2 SDF SMILES Flexibase

2806513

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-methyl-4-nitro-pyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(3-methyl-4-nitro-pyrazol-1-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)	1.43	1.12	-15.2	0	9	0	106	309.289	3	↓ MOL2 SDF SMILES Flexibase

2806555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-nitropyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(4-nitropyrazol-1-yl)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)	1.21	1.05	-15.45	0	9	0	106	295.262	3	↓ MOL2 SDF SMILES Flexibase

2806574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[[5-methyl-3-(trifluoromethyl)…

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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)	2.68	2.62	-13.26	0	6	0	60	332.289	3	↓ MOL2 SDF SMILES Flexibase

2806603

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(4-nitropyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(4-nitropyrazol-1-yl)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)	2.07	1.24	-10.47	0	9	0	106	323.316	4	↓ MOL2 SDF SMILES Flexibase

2806604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(4-nitropyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(4-nitropyrazol-1-yl)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)	2.07	1.57	-10.51	0	9	0	106	323.316	4	↓ MOL2 SDF SMILES Flexibase

2806605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4-chloro-3-methyl-pyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(4-chloro-3-methyl-pyrazol-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)	2.15	0.51	-12.79	0	6	0	60	298.737	2	↓ MOL2 SDF SMILES Flexibase

2806644

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(5-methyl-3-nitro-pyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(5-methyl-3-nitro-pyra…

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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	1.56	-16.56	0	9	0	106	337.343	4	↓ MOL2 SDF SMILES Flexibase

2806645

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(5-methyl-3-nitro-pyrazol-1-yl)propyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(5-methyl-3-nitro-pyra…

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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	1.87	-16.5	0	9	0	106	337.343	4	↓ MOL2 SDF SMILES Flexibase

2806662

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(5-methyl-3-nitro-pyra…

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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)	1.99	1.57	-16.78	0	9	0	106	323.316	3	↓ MOL2 SDF SMILES Flexibase

2806663

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1R)-1-(5-methyl-3-nitro-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(5-methyl-3-nitro-pyra…

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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)	1.99	1.57	-16.72	0	9	0	106	323.316	3	↓ MOL2 SDF SMILES Flexibase

2806673

Analogs

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Popular Name: 2-[(4-chloropyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(4-chloropyrazol-1-yl)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)	1.93	0.4	-12.46	0	6	0	60	284.71	2	↓ MOL2 SDF SMILES Flexibase

2806675

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(1S)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(4-chloro-3,5-dimethyl…

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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)	2.73	0.87	-11.83	0	6	0	60	326.791	2	↓ MOL2 SDF SMILES Flexibase

2806676

Analogs

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Popular Name: 2-[(1R)-1-(4-chloro-3,5-dimethyl-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(4-chloro-3,5-dimethyl…

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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)	2.73	0.87	-11.86	0	6	0	60	326.791	2	↓ MOL2 SDF SMILES Flexibase

2806795

Analogs

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Popular Name: 2-[(1S)-1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin 2-[(1S)-1-[4-chloro-5-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)	3.65	2.68	-12.73	0	6	0	60	380.761	3	↓ MOL2 SDF SMILES Flexibase

2806796

Analogs

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Popular Name: 2-[(1R)-1-[4-chloro-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]-[1,2,4]triazolo[1,5-c]quinazolin 2-[(1R)-1-[4-chloro-5-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)	3.65	2.68	-12.66	0	6	0	60	380.761	3	↓ MOL2 SDF SMILES Flexibase

2806800

Analogs

6526573

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Popular Name: 2-[(1R)-1-(4-bromo-3,5-dimethyl-pyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(4-bromo-3,5-dimethyl-…

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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	0.26	-11.85	0	6	0	60	371.242	2	↓ MOL2 SDF SMILES Flexibase

2806814

Analogs

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Popular Name: 2-[(4-bromo-3-methyl-pyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(4-bromo-3-methyl-pyrazol-1-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)	2.28	-0.1	-12.78	0	6	0	60	343.188	2	↓ MOL2 SDF SMILES Flexibase

2806850

Analogs

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Popular Name: 2-[(4-bromopyrazol-1-yl)methyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(4-bromopyrazol-1-yl)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)	2.06	-0.22	-12.38	0	6	0	60	329.161	2	↓ MOL2 SDF SMILES Flexibase

2806854

Analogs

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Popular Name: 2-[(1S)-1-(3-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(3-methylpyrazol-1-yl)…

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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)	1.90	0.79	-12.47	0	6	0	60	278.319	2	↓ MOL2 SDF SMILES Flexibase

2806855

Analogs

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Popular Name: 2-[(1R)-1-(3-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(3-methylpyrazol-1-yl)…

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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)	1.90	0.79	-12.52	0	6	0	60	278.319	2	↓ MOL2 SDF SMILES Flexibase

2807862

Analogs

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Popular Name: 2-[(1S)-1-(4-chloropyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(4-chloropyrazol-1-yl)…

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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	0.53	-10.76	0	6	0	60	298.737	2	↓ MOL2 SDF SMILES Flexibase

2807863

Analogs

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Popular Name: 2-[(1R)-1-(4-chloropyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(4-chloropyrazol-1-yl)…

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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	0.53	-10.78	0	6	0	60	298.737	2	↓ MOL2 SDF SMILES Flexibase

2807879

Analogs

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Popular Name: 2-[(1S)-1-(4-bromopyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(4-bromopyrazol-1-yl)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)	2.42	-0.09	-10.62	0	6	0	60	343.188	2	↓ MOL2 SDF SMILES Flexibase

2807880

Analogs

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Popular Name: 2-[(1R)-1-(4-bromopyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(4-bromopyrazol-1-yl)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)	2.42	-0.09	-10.68	0	6	0	60	343.188	2	↓ MOL2 SDF SMILES Flexibase

2807932

Analogs

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Popular Name: 2-[(1S)-1-(5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1S)-1-(5-methylpyrazol-1-yl)…

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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)	1.90	0.92	-12.51	0	6	0	60	278.319	2	↓ MOL2 SDF SMILES Flexibase

2807933

Analogs

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Popular Name: 2-[(1R)-1-(5-methylpyrazol-1-yl)ethyl]-[1,2,4]triazolo[1,5-c]quinazoline 2-[(1R)-1-(5-methylpyrazol-1-yl)…

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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)	1.90	0.92	-12.49	0	6	0	60	278.319	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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