ZINC 12

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ZINC Item

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11798003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-chloro-3-methyl-phenoxy)ethoxy]naphthalene-1-carbothioamide 2-[2-(4-chloro-3-methyl-phenoxy)…

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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)	5.64	-2.15	-17.27	2	3	0	44	371.889	6	↓ MOL2 SDF SMILES Flexibase

11798412

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]naphthalene-1-carbonitrile 2-[2-(4-isopropyl-3-methyl-pheno…

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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)	5.96	3.71	-15.14	0	3	0	42	345.442	6	↓ MOL2 SDF SMILES Flexibase

11798438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]-1-naphthyl]prop-2-enoic (Z)-3-[2-[2-(2,3,6-trimethylphen…

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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	2.48	-60.71	0	4	-1	59	375.444	7	↓ MOL2 SDF SMILES Flexibase

11798439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]-1-naphthyl]prop-2-enoic (E)-3-[2-[2-(2,3,6-trimethylphen…

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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	2.5	-67.52	0	4	-1	59	375.444	7	↓ MOL2 SDF SMILES Flexibase

11798707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-[2-[2-(4-propylphenoxy)ethoxy]-1-naphthyl]prop-2-enoic (Z)-3-[2-[2-(4-propylphenoxy)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)	5.89	1.94	-59.31	0	4	-1	59	375.444	9	↓ MOL2 SDF SMILES Flexibase

11798709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[2-(4-propylphenoxy)ethoxy]-1-naphthyl]prop-2-enoic (E)-3-[2-[2-(4-propylphenoxy)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)	5.89	1.87	-67.6	0	4	-1	59	375.444	9	↓ MOL2 SDF SMILES Flexibase

11798791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]-1-naphthyl]propanoic 3-[2-[2-(2,3,6-trimethylphenoxy)…

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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)	5.93	2.44	-62.54	0	4	-1	59	377.46	8	↓ MOL2 SDF SMILES Flexibase

11798800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]naphthalene-1-carbonitrile 2-[2-(2-isopropyl-5-methyl-pheno…

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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)	5.96	3.86	-15.02	0	3	0	42	345.442	6	↓ MOL2 SDF SMILES Flexibase

11798903

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]naphthalene-1-carbonitrile 2-[2-(2-tert-butyl-4-ethyl-pheno…

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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)	7.09	4.66	-13.97	0	3	0	42	373.496	7	↓ MOL2 SDF SMILES Flexibase

11799020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-[2-[2-(2-allylphenoxy)ethoxy]-1-naphthyl]prop-2-enoic (Z)-3-[2-[2-(2-allylphenoxy)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)	5.36	2.33	-58.96	0	4	-1	59	373.428	9	↓ MOL2 SDF SMILES Flexibase

11799022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[2-[2-(2-allylphenoxy)ethoxy]-1-naphthyl]prop-2-enoic (E)-3-[2-[2-(2-allylphenoxy)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)	5.36	2.3	-67.73	0	4	-1	59	373.428	9	↓ MOL2 SDF SMILES Flexibase

11799045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-chloro-3-methyl-phenoxy)ethoxy]naphthalene-1-carbaldehyde 2-[2-(4-chloro-3-methyl-phenoxy)…

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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)	5.63	2.55	-13.24	0	3	0	36	340.806	6	↓ MOL2 SDF SMILES Flexibase

11799320

Analogs

11829427
11960848

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[2-(4-propylphenoxy)ethoxy]-1-naphthyl]propanoic 3-[2-[2-(4-propylphenoxy)ethoxy]…

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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)	6.04	1.89	-61.67	0	4	-1	59	377.46	10	↓ MOL2 SDF SMILES Flexibase

11799352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-2-cyano-3-[2-[2-(4-fluorophenoxy)ethoxy]-1-naphthyl]prop-2-enoic (Z)-2-cyano-3-[2-[2-(4-fluorophe…

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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)	4.47	3.49	-54.23	0	5	-1	82	376.363	7	↓ MOL2 SDF SMILES Flexibase

11799354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-2-cyano-3-[2-[2-(4-fluorophenoxy)ethoxy]-1-naphthyl]prop-2-enoic (E)-2-cyano-3-[2-[2-(4-fluorophe…

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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)	4.47	3.29	-60.68	0	5	-1	82	376.363	7	↓ MOL2 SDF SMILES Flexibase

11799474

Analogs

11829711

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-tert-butyl-4-methyl-phenoxy)ethoxy]naphthalene-1-carbaldehyde 2-[2-(2-tert-butyl-4-methyl-phen…

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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)	7.29	11.66	-11.4	1	4	0	51	377.484	7	↓ MOL2 SDF SMILES Flexibase

11799572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-tert-butyl-6-methyl-phenoxy)ethoxy]naphthalene-1-carboxylic 2-[2-(2-tert-butyl-6-methyl-phen…

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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)	6.42	2.62	-74.19	0	4	-1	59	377.46	7	↓ MOL2 SDF SMILES Flexibase

11799885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-tert-butyl-4-ethyl-phenoxy)ethoxy]naphthalene-1-carbaldehyde 2-[2-(2-tert-butyl-4-ethyl-pheno…

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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)	7.13	4.42	-12.31	0	3	0	36	376.496	8	↓ MOL2 SDF SMILES Flexibase

11800216

Analogs

11831772
11831776

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-[3-ethoxy-4-[2-(2-naphthyloxy)ethoxy]phenyl]prop-2-enoic (Z)-3-[3-ethoxy-4-[2-(2-naphthyl…

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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)	4.80	1.33	-60.11	0	5	-1	68	377.416	9	↓ MOL2 SDF SMILES Flexibase

11800219

Analogs

11831772
11831776

Draw Identity 99% 90% 80% 70%

Popular Name: (E)-3-[3-ethoxy-4-[2-(2-naphthyloxy)ethoxy]phenyl]prop-2-enoic (E)-3-[3-ethoxy-4-[2-(2-naphthyl…

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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)	4.80	1.5	-56.58	0	5	-1	68	377.416	9	↓ MOL2 SDF SMILES Flexibase

11800600

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-tert-butylphenoxy)ethoxy]naphthalene-1-carbaldehyde 2-[2-(2-tert-butylphenoxy)ethoxy…

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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)	6.24	3.94	-12.46	0	3	0	36	348.442	7	↓ MOL2 SDF SMILES Flexibase

11800772

Analogs

11828686

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[2-(2-tert-butyl-5-methyl-phenoxy)ethoxy]-1-naphthyl]ethanamine 2-[2-[2-(2-tert-butyl-5-methyl-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)	5.85	0.34	-46.1	3	3	1	46	378.536	8	↓ MOL2 SDF SMILES Flexibase

11800911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2,5-dichlorophenoxy)ethoxy]naphthalene-1-carboxylic 2-[2-(2,5-dichlorophenoxy)ethoxy…

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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)	5.64	0.53	-74.59	0	4	-1	59	376.215	6	↓ MOL2 SDF SMILES Flexibase

11801013

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[2-[4-(1,1-dimethylpropyl)phenoxy]ethoxy]-1-naphthyl]ethanamine 2-[2-[2-[4-(1,1-dimethylpropyl)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)	5.80	-0.18	-44.34	3	3	1	46	378.536	9	↓ MOL2 SDF SMILES Flexibase

11801135

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[2-(2-naphthyloxy)ethoxy]phenyl]ethanamine 2-[2-[2-(2-naphthyloxy)ethoxy]ph…

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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)	3.80	-1.55	-45.34	3	3	1	46	308.401	7	↓ MOL2 SDF SMILES Flexibase

11801146

Analogs

11959025

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-methylphenoxy)ethoxy]naphthalene-1-carbaldehyde 2-[2-(2-methylphenoxy)ethoxy]nap…

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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)	4.98	2.78	-13.83	0	3	0	36	306.361	6	↓ MOL2 SDF SMILES Flexibase

11801165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(3-methylphenoxy)ethoxy]naphthalene-1-carbonitrile 2-[2-(3-methylphenoxy)ethoxy]nap…

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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)	4.97	2.94	-15.4	0	3	0	42	303.361	5	↓ MOL2 SDF SMILES Flexibase

11801190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[2-(3-methylphenoxy)ethoxy]-1-naphthyl]propanoic 3-[2-[2-(3-methylphenoxy)ethoxy]…

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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)	5.16	1.61	-62.52	0	4	-1	59	349.406	8	↓ MOL2 SDF SMILES Flexibase

11801291

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-isopropyl-3-methyl-phenoxy)ethoxy]naphthalene-1-carbothioamide 2-[2-(4-isopropyl-3-methyl-pheno…

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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)	6.00	-1.23	-17.31	2	3	0	44	379.525	7	↓ MOL2 SDF SMILES Flexibase

11801294

Analogs

11955750

Draw Identity 99% 90% 80% 70%

Popular Name: [2-[2-(2-methylphenoxy)ethoxy]-1-naphthyl]methanamine [2-[2-(2-methylphenoxy)ethoxy]-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)	4.37	-1.31	-41.67	3	3	1	46	308.401	6	↓ MOL2 SDF SMILES Flexibase

11801341

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-isopropylphenoxy)ethoxy]naphthalene-1-carboxylic 2-[2-(4-isopropylphenoxy)ethoxy]…

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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)	5.87	1.57	-75.62	0	4	-1	59	349.406	7	↓ MOL2 SDF SMILES Flexibase

11801375

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-naphthyloxy)ethoxy]benzaldehyde 3-[2-(2-naphthyloxy)ethoxy]benza…

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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)	5.25	7.79	-11	1	4	0	51	307.349	6	↓ MOL2 SDF SMILES Flexibase

11801460

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(4-fluorophenoxy)ethoxy]naphthalene-1-carbaldehyde 2-[2-(4-fluorophenoxy)ethoxy]nap…

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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)	4.74	3.12	-13.52	0	3	0	36	310.324	6	↓ MOL2 SDF SMILES Flexibase

11801478

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-(2-isopropyl-5-methyl-phenoxy)ethoxy]naphthalene-1-carbothioamide 2-[2-(2-isopropyl-5-methyl-pheno…

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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)	6.00	-1.08	-17.28	2	3	0	44	379.525	7	↓ MOL2 SDF SMILES Flexibase

11801480

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (Z)-3-[2-[2-(4-methylphenoxy)ethoxy]-1-naphthyl]prop-2-enoic (Z)-3-[2-[2-(4-methylphenoxy)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)	5.03	1.66	-59.74	0	4	-1	59	347.39	7	↓ MOL2 SDF SMILES Flexibase

11801482

Analogs

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Popular Name: (E)-3-[2-[2-(4-methylphenoxy)ethoxy]-1-naphthyl]prop-2-enoic (E)-3-[2-[2-(4-methylphenoxy)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)	5.03	1.59	-68	0	4	-1	59	347.39	7	↓ MOL2 SDF SMILES Flexibase

11801736

Analogs

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Popular Name: 3-[2-(2-naphthyloxy)ethoxy]benzoic 3-[2-(2-naphthyloxy)ethoxy]benzoic

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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)	4.75	0.86	-59.63	0	4	-1	59	307.325	6	↓ MOL2 SDF SMILES Flexibase

11801988

Analogs

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Popular Name: 2-[2-[2-(2,3,6-trimethylphenoxy)ethoxy]-1-naphthyl]ethanamine 2-[2-[2-(2,3,6-trimethylphenoxy)…

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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)	4.97	-0.39	-47.27	3	3	1	46	350.482	7	↓ MOL2 SDF SMILES Flexibase

11802115

Analogs

11830807

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Popular Name: 2-[2-(2-isopropylphenoxy)ethoxy]naphthalene-1-carbaldehyde 2-[2-(2-isopropylphenoxy)ethoxy]…

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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	9.86	-11.38	1	4	0	51	349.43	7	↓ MOL2 SDF SMILES Flexibase

11802241

Analogs

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Popular Name: 2-[2-[2-(4-propylphenoxy)ethoxy]-1-naphthyl]ethanamine 2-[2-[2-(4-propylphenoxy)ethoxy]…

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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)	5.08	-0.94	-44.44	3	3	1	46	350.482	9	↓ MOL2 SDF SMILES Flexibase

11802266

Analogs

11824068

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Popular Name: 2-(2-phenoxyethoxy)naphthalene-1-carboxylic 2-(2-phenoxyethoxy)naphthalene-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)	4.36	0.77	-76.37	0	4	-1	59	307.325	6	↓ MOL2 SDF SMILES Flexibase

11802463

Analogs

11958696

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Popular Name: 2-[3-ethoxy-4-[2-(2-naphthyloxy)ethoxy]phenyl]ethanamine 2-[3-ethoxy-4-[2-(2-naphthyloxy)…

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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	-1.28	-55.97	3	4	1	55	352.454	9	↓ MOL2 SDF SMILES Flexibase

11802507

Analogs

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Popular Name: [2-[2-(2-tert-butylphenoxy)ethoxy]-1-naphthyl]methanamine [2-[2-(2-tert-butylphenoxy)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)	5.63	-0.15	-42.99	3	3	1	46	350.482	7	↓ MOL2 SDF SMILES Flexibase

11803009

Analogs

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Popular Name: 2-[2-(2,6-dimethylphenoxy)ethoxy]naphthalene-1-carbothioamide 2-[2-(2,6-dimethylphenoxy)ethoxy…

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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)	5.39	-1.46	-16.34	2	3	0	44	351.471	6	↓ MOL2 SDF SMILES Flexibase

11803270

Analogs

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Popular Name: 2-[2-(3,4-dimethylphenoxy)ethoxy]naphthalene-1-carbothioamide 2-[2-(3,4-dimethylphenoxy)ethoxy…

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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)	5.41	-1.7	-17.73	2	3	0	44	351.471	6	↓ MOL2 SDF SMILES Flexibase

11803367

Analogs

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Popular Name: 2-[2-(4-methoxyphenoxy)ethoxy]naphthalene-1-carbothioamide 2-[2-(4-methoxyphenoxy)ethoxy]na…

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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)	4.64	-2.32	-18.48	2	4	0	54	353.443	7	↓ MOL2 SDF SMILES Flexibase

11803600

Analogs

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Popular Name: 2-[2-(3,5-dimethylphenoxy)ethoxy]naphthalene-1-carbaldehyde 2-[2-(3,5-dimethylphenoxy)ethoxy…

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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)	5.40	3.03	-14.37	0	3	0	36	320.388	6	↓ MOL2 SDF SMILES Flexibase

11803665

Analogs

11949359

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Popular Name: 4-methoxy-3-[2-(2-naphthyloxy)ethoxy]benzenecarbothioamide 4-methoxy-3-[2-(2-naphthyloxy)et…

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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	-1.78	-19.71	2	4	0	54	353.443	7	↓ MOL2 SDF SMILES Flexibase

11803904

Analogs

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Popular Name: 3-bromo-4-[2-(2-naphthyloxy)ethoxy]benzaldehyde 3-bromo-4-[2-(2-naphthyloxy)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)	6.02	8.46	-13.12	1	4	0	51	386.245	6	↓ MOL2 SDF SMILES Flexibase

11804239

Analogs

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Popular Name: 2-[2-(2,3-dimethylphenoxy)ethoxy]naphthalene-1-carbaldehyde 2-[2-(2,3-dimethylphenoxy)ethoxy…

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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)	5.38	3.01	-14.05	0	3	0	36	320.388	6	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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