ZINC 12

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ZINC Item

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12537085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(4-benzyloxy-3-methoxy-phenyl)methylamino]-N-methyl-3-nitro-benzenesulfonamide 4-[(4-benzyloxy-3-methoxy-phenyl…

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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	7.33	-18.63	2	9	0	122	457.508	10	↓ MOL2 SDF SMILES Flexibase

2093446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-bromo-5-ethoxy-4-[(2-fluorobenzyl)oxy]benzyl}-N-phenylamine N-{3-bromo-5-ethoxy-4-[(2-fluoro…

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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)	5.86	12.1	-6.85	1	3	0	30	430.317	8	↓ MOL2 SDF SMILES Flexibase

2093448

Analogs

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Popular Name: N-{4-[(2-chlorobenzyl)oxy]-3-ethoxy-5-iodobenzyl}-N-(5-chloro-2-methylphenyl)amine N-{4-[(2-chlorobenzyl)oxy]-3-eth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.70	-0.07	-6.19	2	1	0	30	542.244	3	↓ MOL2 SDF SMILES Flexibase

2093450

Analogs

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Popular Name: N-{3-chloro-4-[(2,4-dichlorobenzyl)oxy]benzyl}-N-phenylamine N-{3-chloro-4-[(2,4-dichlorobenz…

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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)	6.74	-0.35	-4.31	1	2	0	21	392.713	6	↓ MOL2 SDF SMILES Flexibase

2093468

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{4-[(4-chlorobenzyl)oxy]-3-iodo-5-methoxybenzyl}-N-(4-ethylphenyl)amine N-{4-[(4-chlorobenzyl)oxy]-3-iod…

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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)	7.24	13.47	-5.67	1	3	0	30	507.799	8	↓ MOL2 SDF SMILES Flexibase

2093483

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(benzyloxy)-3-ethoxy-5-iodobenzyl]-N-(2,5-dimethylphenyl)amine N-[4-(benzyloxy)-3-ethoxy-5-iodo…

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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)	6.84	0.48	-6.33	1	1	0	30	487.381	3	↓ MOL2 SDF SMILES Flexibase

2093500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-ethoxy-4-[(4-fluorobenzyl)oxy]benzyl}-N-(2-ethylphenyl)amine N-{3-ethoxy-4-[(4-fluorobenzyl)o…

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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)	5.84	1.7	-7.49	1	3	0	30	379.475	9	↓ MOL2 SDF SMILES Flexibase

2093536

Analogs

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Popular Name: N-[4-(benzyloxy)-3-chloro-5-methoxybenzyl]-N-(4-ethylphenyl)amine N-[4-(benzyloxy)-3-chloro-5-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)	6.15	0.74	-6.81	1	3	0	30	381.903	8	↓ MOL2 SDF SMILES Flexibase

2093561

Analogs

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Popular Name: N-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]benzyl}-N-(5-chloro-2-methylphenyl)amine N-{3-bromo-4-[(2,4-dichlorobenzy…

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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)	7.92	-0.56	-4.52	1	1	0	21	485.636	2	↓ MOL2 SDF SMILES Flexibase

2093576

Analogs

37133995

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzyl}-N-(4-methylphenyl)amine N-{3-bromo-5-methoxy-4-[(4-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)	6.27	0.32	-6.8	1	3	0	30	426.354	7	↓ MOL2 SDF SMILES Flexibase

2093580

Analogs

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Popular Name: N-{3,5-dibromo-4-[(4-methylbenzyl)oxy]benzyl}-N-(3-methylphenyl)amine N-{3,5-dibromo-4-[(4-methylbenzy…

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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)	7.19	-0.67	-5.08	1	2	0	21	475.224	6	↓ MOL2 SDF SMILES Flexibase

2093587

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzyl}-N-(4-methoxyphenyl)amine N-{3-bromo-4-[(4-chlorobenzyl)ox…

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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)	6.48	-0.46	-7.62	1	4	0	39	476.798	9	↓ MOL2 SDF SMILES Flexibase

2093588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-chloro-4-[(2,4-dichlorobenzyl)oxy]-5-methoxybenzyl}-N-(3-methylphenyl)amine N-{3-chloro-4-[(2,4-dichlorobenz…

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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)	6.95	12.66	-5.44	1	3	0	30	436.766	7	↓ MOL2 SDF SMILES Flexibase

2093607

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3,5-dichloro-4-[(4-fluorobenzyl)oxy]benzyl}-N-(2-methylphenyl)amine N-{3,5-dichloro-4-[(4-fluorobenz…

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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)	6.62	1.12	-5.3	1	2	0	21	390.285	6	↓ MOL2 SDF SMILES Flexibase

2093608

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-bromo-4-[(3-fluorobenzyl)oxy]-5-methoxybenzyl}-N-(3-chloro-4-methylphenyl)amine N-{3-bromo-4-[(3-fluorobenzyl)ox…

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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)	6.56	0.58	-8	1	3	0	30	464.762	7	↓ MOL2 SDF SMILES Flexibase

2093618

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-{3-chloro-4-[(2,4-dichlorobenzyl)oxy]-5-ethoxybenzyl}-4-methylaniline 3-chloro-N-{3-chloro-4-[(2,4-dic…

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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)	7.95	0.21	-6.01	1	3	0	30	485.238	8	↓ MOL2 SDF SMILES Flexibase

2093629

Analogs

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Popular Name: N-[4-(benzyloxy)-3-chlorobenzyl]-N-(2-methylphenyl)amine N-[4-(benzyloxy)-3-chlorobenzyl]…

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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)	5.85	0.38	-6.12	1	2	0	21	337.85	6	↓ MOL2 SDF SMILES Flexibase

2093631

Analogs

36804624

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-chloro-5-ethoxy-4-[(3-fluorobenzyl)oxy]benzyl}-N-phenylamine N-{3-chloro-5-ethoxy-4-[(3-fluor…

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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)	5.75	1.01	-6.99	1	3	0	30	385.866	8	↓ MOL2 SDF SMILES Flexibase

2093642

Analogs

12468480

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(benzyloxy)-3-bromo-5-ethoxybenzyl]-N-(5-chloro-2-methylphenyl)amine N-[4-(benzyloxy)-3-bromo-5-ethox…

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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)	6.80	0.06	-6.68	1	3	0	30	460.799	8	↓ MOL2 SDF SMILES Flexibase

2093650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(benzyloxy)-3-iodo-5-methoxybenzyl]-N-(4-methoxyphenyl)amine N-[4-(benzyloxy)-3-iodo-5-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)	5.70	-0.38	-8.11	1	4	0	39	475.326	8	↓ MOL2 SDF SMILES Flexibase

2093654

Analogs

37091282
37133995

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-bromo-4-[(4-bromobenzyl)oxy]-5-ethoxybenzyl}-N-(2-methylphenyl)amine N-{3-bromo-4-[(4-bromobenzyl)oxy…

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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)	6.96	-0.55	-5.92	1	3	0	30	505.25	8	↓ MOL2 SDF SMILES Flexibase

2093665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-bromo-4-[(4-chlorobenzyl)oxy]benzyl}-N-(4-methoxyphenyl)amine N-{3-bromo-4-[(4-chlorobenzyl)ox…

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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)	6.32	10.85	-7.76	1	3	0	30	432.745	7	↓ MOL2 SDF SMILES Flexibase

2093692

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-chloro-N-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzyl}-2-methylaniline 5-chloro-N-{3-chloro-4-[(4-fluor…

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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)	6.46	1.38	-7.06	1	3	0	30	420.311	7	↓ MOL2 SDF SMILES Flexibase

2093707

Analogs

34990097

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3,5-dibromo-4-[(4-chlorobenzyl)oxy]benzyl}-N-(2-methylphenyl)amine N-{3,5-dibromo-4-[(4-chlorobenzy…

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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)	7.40	-0.94	-4.61	1	2	0	21	495.642	6	↓ MOL2 SDF SMILES Flexibase

2093718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-chloro-4-[(3-fluorobenzyl)oxy]-5-methoxybenzyl}-N-(2-methylphenyl)amine N-{3-chloro-4-[(3-fluorobenzyl)o…

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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)	5.78	1.53	-7.27	1	3	0	30	385.866	7	↓ MOL2 SDF SMILES Flexibase

2093722

Analogs

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Popular Name: N-{3-bromo-4-[(2,4-dichlorobenzyl)oxy]benzyl}-N-(4-methylphenyl)amine N-{3-bromo-4-[(2,4-dichlorobenzy…

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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)	7.32	-0.62	-4.32	1	2	0	21	451.191	6	↓ MOL2 SDF SMILES Flexibase

2093762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-ethoxy-4-[(4-fluorobenzyl)oxy]-5-iodobenzyl}-N-(2-methylphenyl)amine N-{3-ethoxy-4-[(4-fluorobenzyl)o…

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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)	6.58	0.89	-5.99	1	3	0	30	491.344	8	↓ MOL2 SDF SMILES Flexibase

2093764

Analogs

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Popular Name: N-{4-[(4-bromobenzyl)oxy]-3-ethoxy-5-iodobenzyl}-N-(2-methylphenyl)amine N-{4-[(4-bromobenzyl)oxy]-3-etho…

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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)	7.23	-0.6	-5.54	1	3	0	30	552.25	8	↓ MOL2 SDF SMILES Flexibase

2093781

Analogs

37091279

Draw Identity 99% 90% 80% 70%

Popular Name: N-{4-[(4-bromobenzyl)oxy]-3-chloro-5-ethoxybenzyl}-N-(2,3-dimethylphenyl)amine N-{4-[(4-bromobenzyl)oxy]-3-chlo…

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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)	7.22	0.27	-6.13	1	3	0	30	474.826	8	↓ MOL2 SDF SMILES Flexibase

2093784

Analogs

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Popular Name: N-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzyl}-N-(2-methylphenyl)amine N-{3-bromo-5-ethoxy-4-[(4-fluoro…

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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)	6.31	0.95	-6.39	1	3	0	30	444.344	8	↓ MOL2 SDF SMILES Flexibase

2093787

Analogs

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Popular Name: N-{3-bromo-5-ethoxy-4-[(4-fluorobenzyl)oxy]benzyl}-N-phenylamine N-{3-bromo-5-ethoxy-4-[(4-fluoro…

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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)	5.91	12.04	-6.37	1	3	0	30	430.317	8	↓ MOL2 SDF SMILES Flexibase

2093813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3,5-dibromo-4-[(4-chlorobenzyl)oxy]benzyl}-N-(4-ethoxyphenyl)amine N-{3,5-dibromo-4-[(4-chlorobenzy…

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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)	7.43	-1.45	-6.21	1	3	0	30	525.668	8	↓ MOL2 SDF SMILES Flexibase

2093831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzyl}-N-(5-chloro-2-methylphenyl)amine N-{3-bromo-4-[(2-chlorobenzyl)ox…

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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)	7.43	-0.02	-6.5	1	3	0	30	495.244	8	↓ MOL2 SDF SMILES Flexibase

2093836

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3-chloro-5-methoxy-4-[(4-methylbenzyl)oxy]benzyl}-N-(2-ethylphenyl)amine N-{3-chloro-5-methoxy-4-[(4-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)	6.55	1.27	-6.78	1	3	0	30	395.93	8	↓ MOL2 SDF SMILES Flexibase

2093853

Analogs

21795098
36974127
36974250

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Popular Name: N-{3-ethoxy-4-[(4-methylbenzyl)oxy]benzyl}-N-(2-ethylphenyl)amine N-{3-ethoxy-4-[(4-methylbenzyl)o…

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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)	6.13	1.29	-7.23	1	3	0	30	375.512	9	↓ MOL2 SDF SMILES Flexibase

2093862

Analogs

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Popular Name: N-{3,5-dibromo-4-[(4-fluorobenzyl)oxy]benzyl}-N-(4-ethylphenyl)amine N-{3,5-dibromo-4-[(4-fluorobenzy…

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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)	7.40	13.35	-4.83	1	2	0	21	493.214	7	↓ MOL2 SDF SMILES Flexibase

2093870

Analogs

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Popular Name: N-{3-chloro-4-[(4-fluorobenzyl)oxy]benzyl}-N-(2-methylphenyl)amine N-{3-chloro-4-[(4-fluorobenzyl)o…

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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)	6.01	1.12	-6.88	1	2	0	21	355.84	6	↓ MOL2 SDF SMILES Flexibase

2093873

Analogs

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Popular Name: N-(3-chloro-4-methylphenyl)-N-{4-[(3-fluorobenzyl)oxy]-3-iodo-5-methoxybenzyl}amine N-(3-chloro-4-methylphenyl)-N-{4…

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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)	6.84	0.52	-7.6	1	3	0	30	511.762	7	↓ MOL2 SDF SMILES Flexibase

2093878

Analogs

9805955
37132162

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Popular Name: N-{3-bromo-5-methoxy-4-[(4-methylbenzyl)oxy]benzyl}-N-(4-methoxyphenyl)amine N-{3-bromo-5-methoxy-4-[(4-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)	5.88	0	-8.47	1	4	0	39	442.353	8	↓ MOL2 SDF SMILES Flexibase

2093884

Analogs

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Popular Name: N-{3-bromo-4-[(4-fluorobenzyl)oxy]benzyl}-N-(4-methylphenyl)amine N-{3-bromo-4-[(4-fluorobenzyl)ox…

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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)	6.19	0.33	-6.76	1	2	0	21	400.291	6	↓ MOL2 SDF SMILES Flexibase

2093902

Analogs

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Popular Name: N-{4-[(2-chlorobenzyl)oxy]-3-ethoxy-5-iodobenzyl}-N-(2,5-dimethylphenyl)amine N-{4-[(2-chlorobenzyl)oxy]-3-eth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.47	0.4	-6.09	1	3	0	30	521.826	8	↓ MOL2 SDF SMILES Flexibase

2093939

Analogs

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Popular Name: N-{3,5-dibromo-4-[(4-chlorobenzyl)oxy]benzyl}-N-(4-ethylphenyl)amine N-{3,5-dibromo-4-[(4-chlorobenzy…

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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)	7.91	13.8	-4.46	1	2	0	21	509.669	7	↓ MOL2 SDF SMILES Flexibase

2093952

Analogs

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Popular Name: N-{3-bromo-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzyl}-N-(3-chloro-4-methylphenyl)amine N-{3-bromo-4-[(4-chlorobenzyl)ox…

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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)	7.48	-0.3	-6.74	1	3	0	30	495.244	8	↓ MOL2 SDF SMILES Flexibase

2093958

Analogs

34990097

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Popular Name: 3-chloro-N-{3,5-dibromo-4-[(4-chlorobenzyl)oxy]benzyl}-4-methylaniline 3-chloro-N-{3,5-dibromo-4-[(4-ch…

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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)	8.05	-1.3	-5.55	1	2	0	21	530.087	6	↓ MOL2 SDF SMILES Flexibase

2093961

Analogs

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Popular Name: N-{3-chloro-4-[(3-fluorobenzyl)oxy]-5-methoxybenzyl}-N-(2,5-dimethylphenyl)amine N-{3-chloro-4-[(3-fluorobenzyl)o…

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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)	6.20	1.85	-7.28	1	3	0	30	399.893	7	↓ MOL2 SDF SMILES Flexibase

2093972

Analogs

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Popular Name: N-{3,5-dibromo-4-[(2-fluorobenzyl)oxy]benzyl}-N-(4-methylphenyl)amine N-{3,5-dibromo-4-[(2-fluorobenzy…

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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)	6.88	-0.16	-5.17	1	2	0	21	479.187	6	↓ MOL2 SDF SMILES Flexibase

2093987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-{3,5-dibromo-4-[(4-bromobenzyl)oxy]benzyl}-N-(2,5-dimethylphenyl)amine N-{3,5-dibromo-4-[(4-bromobenzyl…

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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)	7.95	-1.23	-4.6	1	2	0	21	554.12	6	↓ MOL2 SDF SMILES Flexibase

2093991

Analogs

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Popular Name: N-{4-[(2,4-dichlorobenzyl)oxy]-3-iodo-5-methoxybenzyl}-N-(4-ethylphenyl)amine N-{4-[(2,4-dichlorobenzyl)oxy]-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)	7.84	14	-4.82	1	3	0	30	542.244	8	↓ MOL2 SDF SMILES Flexibase

2093994

Analogs

36804440

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-(benzyloxy)-3-chloro-5-methoxybenzyl]-N-(2,5-dimethylphenyl)amine N-[4-(benzyloxy)-3-chloro-5-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)	6.06	1.11	-6.98	1	3	0	30	381.903	7	↓ MOL2 SDF SMILES Flexibase

2093996

Analogs

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Popular Name: N-{3-bromo-4-[(2-chlorobenzyl)oxy]-5-ethoxybenzyl}-N-(4-methylphenyl)amine N-{3-bromo-4-[(2-chlorobenzyl)ox…

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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)	6.82	-0.07	-6.37	1	3	0	30	460.799	8	↓ MOL2 SDF SMILES Flexibase

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