ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

12223826

Analogs

39264616
39264753
39300886
39301109
39301134

Draw Identity 99% 90% 80% 70%

Popular Name: 3-acetamido-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3-acetamido-N-[4-[(6-methylpyrim…

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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)	2.65	-1.4	-25.27	3	7	0	96	361.405	5	↓ MOL2 SDF SMILES Flexibase

12223888

Analogs

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Popular Name: 4-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 4-methoxy-N-[4-[(6-methylpyrimid…

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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)	3.52	-0.25	-15.15	2	6	0	76	334.379	5	↓ MOL2 SDF SMILES Flexibase

12223897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 4-methyl-N-[4-[(6-methylpyrimidi…

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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	0.04	-14.27	2	5	0	67	318.38	4	↓ MOL2 SDF SMILES Flexibase

12223955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [4-[[4-[(6-methylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl] [4-[[4-[(6-methylpyrimidin-4-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)	3.01	1.29	-18.01	2	7	0	93	362.389	6	↓ MOL2 SDF SMILES Flexibase

12224021

Analogs

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Popular Name: 3-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3-methyl-N-[4-[(6-methylpyrimidi…

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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)	3.88	0.04	-14.53	2	5	0	67	318.38	4	↓ MOL2 SDF SMILES Flexibase

12224037

Analogs

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Popular Name: 4-fluoro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 4-fluoro-N-[4-[(6-methylpyrimidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	0.35	-11.87	2	5	0	67	322.343	4	↓ MOL2 SDF SMILES Flexibase

12224060

Analogs

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Popular Name: 2-chloro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 2-chloro-N-[4-[(6-methylpyrimidi…

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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)	4.09	-0.51	-13.77	2	5	0	67	338.798	4	↓ MOL2 SDF SMILES Flexibase

12224065

Analogs

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Popular Name: 3-chloro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3-chloro-N-[4-[(6-methylpyrimidi…

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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)	4.11	-0.43	-12.39	2	5	0	67	338.798	4	↓ MOL2 SDF SMILES Flexibase

12224136

Analogs

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Popular Name: 4-chloro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 4-chloro-N-[4-[(6-methylpyrimidi…

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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)	4.14	-0.54	-11.47	2	5	0	67	338.798	4	↓ MOL2 SDF SMILES Flexibase

12224151

Analogs

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Popular Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide N-[4-[(6-methylpyrimidin-4-yl)am…

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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)	3.46	9.29	-17.75	2	5	0	67	304.353	4	↓ MOL2 SDF SMILES Flexibase

12224370

Analogs

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Popular Name: 3,4,5-trimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3,4,5-trimethoxy-N-[4-[(6-methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.09	0.41	-14.97	2	8	0	95	394.431	7	↓ MOL2 SDF SMILES Flexibase

12224378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-nitro-benzamide N-[4-[(6-methylpyrimidin-4-yl)am…

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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)	3.42	0.23	-15.96	2	8	0	113	349.35	5	↓ MOL2 SDF SMILES Flexibase

12224384

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-2-nitro-benzamide N-[4-[(6-methylpyrimidin-4-yl)am…

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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)	3.37	0.29	-23.15	2	8	0	113	349.35	5	↓ MOL2 SDF SMILES Flexibase

12224440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3-methoxy-N-[4-[(6-methylpyrimid…

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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)	3.49	-0.37	-14.91	2	6	0	76	334.379	5	↓ MOL2 SDF SMILES Flexibase

12224446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,6-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 2,6-dimethoxy-N-[4-[(6-methylpyr…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.48	-0.4	-18.77	2	7	0	85	364.405	6	↓ MOL2 SDF SMILES Flexibase

12224452

Analogs

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Popular Name: 3-fluoro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3-fluoro-N-[4-[(6-methylpyrimidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.60	0.45	-12.66	2	5	0	67	322.343	4	↓ MOL2 SDF SMILES Flexibase

12224461

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 2-fluoro-N-[4-[(6-methylpyrimidi…

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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)	3.57	0.28	-16.25	2	5	0	67	322.343	4	↓ MOL2 SDF SMILES Flexibase

12224466

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3,4-dimethyl-N-[4-[(6-methylpyri…

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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)	4.28	0.33	-14.52	2	5	0	67	332.407	4	↓ MOL2 SDF SMILES Flexibase

12224479

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide 2-methyl-N-[4-[(6-methylpyrimidi…

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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)	3.77	0.22	-19.06	2	8	0	113	363.377	5	↓ MOL2 SDF SMILES Flexibase

12224492

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-4-nitro-benzamide 3-methyl-N-[4-[(6-methylpyrimidi…

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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)	3.79	0.48	-15.65	2	8	0	113	363.377	5	↓ MOL2 SDF SMILES Flexibase

12224519

Analogs

39264616
39300886
39300919
39301539

Draw Identity 99% 90% 80% 70%

Popular Name: 3-dimethylamino-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3-dimethylamino-N-[4-[(6-methylp…

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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)	3.54	-0.52	-13.16	2	6	0	70	347.422	5	↓ MOL2 SDF SMILES Flexibase

12224528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-dimethylamino-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 4-dimethylamino-N-[4-[(6-methylp…

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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)	3.56	-0.42	-15.14	2	6	0	70	347.422	5	↓ MOL2 SDF SMILES Flexibase

12224542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 2-methoxy-N-[4-[(6-methylpyrimid…

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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)	4.01	0.39	-17.54	2	6	0	76	334.379	5	↓ MOL2 SDF SMILES Flexibase

12224547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3,5-dimethoxy-N-[4-[(6-methylpyr…

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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)	3.50	-0.25	-15.6	2	7	0	85	364.405	6	↓ MOL2 SDF SMILES Flexibase

12224554

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 2-methyl-N-[4-[(6-methylpyrimidi…

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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)	3.86	-0.09	-13.31	2	5	0	67	318.38	4	↓ MOL2 SDF SMILES Flexibase

12224587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide N-[4-[(6-methylpyrimidin-4-yl)am…

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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)	3.39	0.12	-19.2	2	8	0	113	349.35	5	↓ MOL2 SDF SMILES Flexibase

12224597

Analogs

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Popular Name: 4-methyl-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]-3-nitro-benzamide 4-methyl-N-[4-[(6-methylpyrimidi…

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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)	3.79	0.33	-21.56	2	8	0	113	363.377	5	↓ MOL2 SDF SMILES Flexibase

12224620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3,4-dimethoxy-N-[4-[(6-methylpyr…

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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)	3.11	0.08	-17.36	2	7	0	85	364.405	6	↓ MOL2 SDF SMILES Flexibase

12225071

Analogs

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Popular Name: 3-ethoxy-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 3-ethoxy-N-[4-[(6-methylpyrimidi…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.87	-0.36	-14.79	2	6	0	76	348.406	6	↓ MOL2 SDF SMILES Flexibase

12225093

Analogs

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Popular Name: 2,3,4-trifluoro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 2,3,4-trifluoro-N-[4-[(6-methylp…

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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)	3.81	1.85	-20.32	2	5	0	67	358.323	4	↓ MOL2 SDF SMILES Flexibase

12225099

Analogs

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Popular Name: 2-chloro-6-fluoro-N-[4-[(6-methylpyrimidin-4-yl)amino]phenyl]benzamide 2-chloro-6-fluoro-N-[4-[(6-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)	4.20	-0.03	-16.21	2	5	0	67	356.788	4	↓ MOL2 SDF SMILES Flexibase

12225196

Analogs

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Popular Name: N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide N-[4-[(6-methoxy-2-methyl-pyrimi…

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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)	3.50	-2.42	-11.4	2	6	0	76	334.379	5	↓ MOL2 SDF SMILES Flexibase

12225203

Analogs

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Popular Name: 3-methoxy-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 3-methoxy-N-[4-[(6-methoxy-2-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)	3.54	-2.4	-13.86	2	7	0	85	364.405	6	↓ MOL2 SDF SMILES Flexibase

12225207

Analogs

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Popular Name: 4-methoxy-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 4-methoxy-N-[4-[(6-methoxy-2-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)	3.56	-2.39	-14.04	2	7	0	85	364.405	6	↓ MOL2 SDF SMILES Flexibase

12225210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 3,4-dimethoxy-N-[4-[(6-methoxy-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)	3.15	-2.07	-14.85	2	8	0	95	394.431	7	↓ MOL2 SDF SMILES Flexibase

12225217

Analogs

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Popular Name: 2,3-dimethoxy-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 2,3-dimethoxy-N-[4-[(6-methoxy-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)	3.87	-1.48	-15.71	2	8	0	95	394.431	7	↓ MOL2 SDF SMILES Flexibase

12225223

Analogs

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Popular Name: 3,4,5-trimethoxy-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 3,4,5-trimethoxy-N-[4-[(6-methox…

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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)	3.14	-1.62	-16.29	2	9	0	104	424.457	8	↓ MOL2 SDF SMILES Flexibase

12225228

Analogs

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Popular Name: 2-fluoro-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 2-fluoro-N-[4-[(6-methoxy-2-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)	3.62	-1.75	-17.74	2	6	0	76	352.369	5	↓ MOL2 SDF SMILES Flexibase

12225234

Analogs

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Popular Name: 3-fluoro-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 3-fluoro-N-[4-[(6-methoxy-2-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)	3.64	-1.69	-11.61	2	6	0	76	352.369	5	↓ MOL2 SDF SMILES Flexibase

12225238

Analogs

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Popular Name: 4-fluoro-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 4-fluoro-N-[4-[(6-methoxy-2-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)	3.67	-1.68	-11.07	2	6	0	76	352.369	5	↓ MOL2 SDF SMILES Flexibase

12225246

Analogs

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Popular Name: 3-chloro-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 3-chloro-N-[4-[(6-methoxy-2-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)	4.16	-2.58	-11.3	2	6	0	76	368.824	5	↓ MOL2 SDF SMILES Flexibase

12225253

Analogs

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Popular Name: 4-chloro-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 4-chloro-N-[4-[(6-methoxy-2-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)	4.18	-2.57	-12.7	2	6	0	76	368.824	5	↓ MOL2 SDF SMILES Flexibase

12225260

Analogs

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Popular Name: 2-chloro-6-fluoro-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 2-chloro-6-fluoro-N-[4-[(6-metho…

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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)	4.25	-2.19	-14.5	2	6	0	76	386.814	5	↓ MOL2 SDF SMILES Flexibase

12225263

Analogs

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Popular Name: N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]-2-(trifluoromethyl)benzamide N-[4-[(6-methoxy-2-methyl-pyrimi…

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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)	4.35	-0.47	-17.42	2	6	0	76	402.376	6	↓ MOL2 SDF SMILES Flexibase

12225270

Analogs

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Popular Name: N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]-3-(trifluoromethyl)benzamide N-[4-[(6-methoxy-2-methyl-pyrimi…

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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)	4.38	-0.24	-13.65	2	6	0	76	402.376	6	↓ MOL2 SDF SMILES Flexibase

12225273

Analogs

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Popular Name: N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]-4-(trifluoromethyl)benzamide N-[4-[(6-methoxy-2-methyl-pyrimi…

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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)	4.40	-0.27	-12.87	2	6	0	76	402.376	6	↓ MOL2 SDF SMILES Flexibase

12225313

Analogs

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Popular Name: 2-chloro-4-fluoro-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 2-chloro-4-fluoro-N-[4-[(6-metho…

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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)	4.27	-1.8	-12.1	2	6	0	76	386.814	5	↓ MOL2 SDF SMILES Flexibase

12225317

Analogs

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Popular Name: 5-chloro-2-methoxy-N-[4-[(6-methoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide 5-chloro-2-methoxy-N-[4-[(6-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)	4.72	-1.9	-14.13	2	7	0	85	398.85	6	↓ MOL2 SDF SMILES Flexibase

12225362

Analogs

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Popular Name: N-[4-[(6-ethoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]benzamide N-[4-[(6-ethoxy-2-methyl-pyrimid…

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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)	3.88	-2.43	-11.2	2	6	0	76	348.406	6	↓ MOL2 SDF SMILES Flexibase

12225370

Analogs

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Popular Name: N-[4-[(6-ethoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]-3-methoxy-benzamide N-[4-[(6-ethoxy-2-methyl-pyrimid…

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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	-2.41	-13.66	2	7	0	85	378.432	7	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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