ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

2985367

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(4-chloro-2-methyl-phenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene 1-[2-[2-(4-chloro-2-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)	5.22	1.96	-10.38	0	4	0	36	376.88	10	↓ MOL2 SDF SMILES Flexibase

2985408

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethoxy]-3-methoxy-benzaldehyde 4-[2-[2-(2,5-dimethylphenoxy)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)	3.68	2.09	-13.98	0	5	0	54	344.407	10	↓ MOL2 SDF SMILES Flexibase

2985410

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(4-allyl-2-methoxy-phenoxy)ethoxy]ethoxy]-2-bromo-4-chloro-benzene 1-[2-[2-(4-allyl-2-methoxy-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)	5.30	1.06	-10.71	0	4	0	36	441.749	11	↓ MOL2 SDF SMILES Flexibase

2985431

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-chloro-2-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]benzene 1-chloro-2-[2-[2-(4-ethoxyphenox…

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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)	4.53	8.63	-10.15	0	4	0	37	336.815	10	↓ MOL2 SDF SMILES Flexibase

2985439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(2-ethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-methyl-benzene 1-[2-[2-(2-ethylphenoxy)ethoxy]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)	4.38	1.82	-11.01	0	4	0	36	330.424	10	↓ MOL2 SDF SMILES Flexibase

2985440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-isopropyl-3-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]benzene 1-isopropyl-3-[2-[2-(2-methoxyph…

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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)	4.57	1.74	-11.23	0	4	0	36	330.424	10	↓ MOL2 SDF SMILES Flexibase

2985442

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[2-(4-chloro-2-methyl-phenoxy)ethoxy]ethoxy]-3-methoxy-benzaldehyde 4-[2-[2-(4-chloro-2-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)	3.91	1.62	-13.2	0	5	0	54	364.825	10	↓ MOL2 SDF SMILES Flexibase

2985446

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-1-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]-4-[(E)-prop-1-enyl]benzene 2-methoxy-1-[2-[2-(4-nitrophenox…

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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)	4.12	2.22	-13.63	0	7	0	82	373.405	11	↓ MOL2 SDF SMILES Flexibase

2985457

Analogs

32190772

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethyl-benzene 1-[2-[2-(2-ethoxyphenoxy)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)	4.29	1.59	-11.62	0	4	0	36	330.424	10	↓ MOL2 SDF SMILES Flexibase

2985471

Analogs

34610275

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(2,5-dimethylphenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene 1-[2-[2-(2,5-dimethylphenoxy)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)	4.99	2.43	-11.3	0	4	0	36	356.462	10	↓ MOL2 SDF SMILES Flexibase

2985491

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]-1,4-dimethyl-benzene 2-[2-[2-(2-methoxyphenoxy)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)	3.91	1.66	-11.38	0	4	0	36	316.397	9	↓ MOL2 SDF SMILES Flexibase

2985504

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(4-fluorophenoxy)ethoxy]ethoxy]-2-methoxy-4-methyl-benzene 1-[2-[2-(4-fluorophenoxy)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)	3.67	2	-11	0	4	0	36	320.36	9	↓ MOL2 SDF SMILES Flexibase

2985535

Analogs

32148138

Draw Identity 99% 90% 80% 70%

Popular Name: 1,4-dichloro-2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]benzene 1,4-dichloro-2-[2-[2-(3-methoxyp…

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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)	4.79	0.38	-9.97	0	4	0	36	357.233	9	↓ MOL2 SDF SMILES Flexibase

2985542

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-bromo-2-[2-[2-(3-ethoxyphenoxy)ethoxy]ethoxy]-3,5-dimethyl-benzene 1-bromo-2-[2-[2-(3-ethoxyphenoxy…

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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)	5.44	0.77	-9.17	0	4	0	36	409.32	10	↓ MOL2 SDF SMILES Flexibase

2985571

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(2-iodophenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene 1-[2-[2-(2-iodophenoxy)ethoxy]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)	5.20	0.96	-11.17	0	4	0	36	454.304	10	↓ MOL2 SDF SMILES Flexibase

2985582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methoxy-4-methyl-1-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene 2-methoxy-4-methyl-1-[2-[2-(2-ni…

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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	9.9	-18.37	0	7	0	83	347.367	10	↓ MOL2 SDF SMILES Flexibase

2985589

Analogs

5362496

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-2-nitro-benzene 1-[2-[2-(2-methoxyphenoxy)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)	3.42	9.9	-17.82	0	7	0	83	347.367	10	↓ MOL2 SDF SMILES Flexibase

2985598

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[2-(4-allyl-2-methoxy-phenoxy)ethoxy]ethoxy]-1,3-dichloro-benzene 2-[2-[2-(4-allyl-2-methoxy-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)	5.14	1.8	-11.48	0	4	0	36	397.298	11	↓ MOL2 SDF SMILES Flexibase

2985599

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1,2-dichloro-3-[2-[2-(2-ethoxyphenoxy)ethoxy]ethoxy]benzene 1,2-dichloro-3-[2-[2-(2-ethoxyph…

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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	0.72	-12.61	0	4	0	36	371.26	10	↓ MOL2 SDF SMILES Flexibase

2985604

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-4-chloro-1-[2-[2-(2-methoxyphenoxy)ethoxy]ethoxy]benzene 2-bromo-4-chloro-1-[2-[2-(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)	4.50	0.1	-10.94	0	4	0	36	401.684	9	↓ MOL2 SDF SMILES Flexibase

2985615

Analogs

42205630
42205635

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[2-(2-methoxy-4-methyl-phenoxy)ethoxy]ethoxy]benzaldehyde 3-[2-[2-(2-methoxy-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)	3.28	1.66	-17.2	0	5	0	54	330.38	10	↓ MOL2 SDF SMILES Flexibase

2985616

Analogs

42205627
2163884

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[2-(4-methoxyphenoxy)ethoxy]ethoxy]benzaldehyde 2-[2-[2-(4-methoxyphenoxy)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)	3.27	1.71	-14.94	0	5	0	54	316.353	10	↓ MOL2 SDF SMILES Flexibase

2985617

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(4-allyl-2-methoxy-phenoxy)ethoxy]ethoxy]-2,4-dichloro-benzene 1-[2-[2-(4-allyl-2-methoxy-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)	5.17	1.65	-10.84	0	4	0	36	397.298	11	↓ MOL2 SDF SMILES Flexibase

2985636

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(4-tert-butylphenoxy)ethoxy]ethoxy]-2-methoxy-4-methyl-benzene 1-[2-[2-(4-tert-butylphenoxy)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)	5.22	2.41	-10.9	0	4	0	36	358.478	10	↓ MOL2 SDF SMILES Flexibase

2985650

Analogs

32110573

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethoxy-3-[2-[2-(2-ethylphenoxy)ethoxy]ethoxy]benzene 1-ethoxy-3-[2-[2-(2-ethylphenoxy…

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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	1.19	-10.12	0	0	0	36	330.424	4	↓ MOL2 SDF SMILES Flexibase

2985654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[2-(3-ethoxyphenoxy)ethoxy]ethoxy]benzoate 4-[2-[2-(3-ethoxyphenoxy)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)	3.79	0.23	-57.29	0	6	-1	77	345.371	11	↓ MOL2 SDF SMILES Flexibase

2985655

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(4-allyl-2-methoxy-phenoxy)ethoxy]ethoxy]-2-chloro-4-methyl-benzene 1-[2-[2-(4-allyl-2-methoxy-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)	4.94	2.12	-11.62	0	4	0	36	376.88	11	↓ MOL2 SDF SMILES Flexibase

2985659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[2-[2-(4-allyl-2-methoxy-phenoxy)ethoxy]ethoxy]benzaldehyde 4-[2-[2-(4-allyl-2-methoxy-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)	3.67	2.31	-14.68	0	5	0	54	356.418	12	↓ MOL2 SDF SMILES Flexibase

2985678

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(2-chlorophenoxy)ethoxy]ethoxy]-2-methoxy-4-methyl-benzene 1-[2-[2-(2-chlorophenoxy)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)	4.14	1.17	-12.14	0	4	0	36	336.815	9	↓ MOL2 SDF SMILES Flexibase

2985722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-chloro-4-[2-[2-(2-methoxy-4-methyl-phenoxy)ethoxy]ethoxy]-2,3-dimethyl-benzene 1-chloro-4-[2-[2-(2-methoxy-4-me…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.94	1.73	-10.74	0	4	0	36	364.869	9	↓ MOL2 SDF SMILES Flexibase

2985763

Analogs

32125667

Draw Identity 99% 90% 80% 70%

Popular Name: 1,5-dichloro-2-[2-[2-(3-ethoxyphenoxy)ethoxy]ethoxy]-3-methyl-benzene 1,5-dichloro-2-[2-[2-(3-ethoxyph…

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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)	5.54	0.89	-10.17	0	4	0	36	385.287	10	↓ MOL2 SDF SMILES Flexibase

2985780

Analogs

32190772

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(4-ethoxyphenoxy)ethoxy]ethoxy]-2-methoxy-4-methyl-benzene 1-[2-[2-(4-ethoxyphenoxy)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)	3.94	1.28	-11.99	0	5	0	46	346.423	11	↓ MOL2 SDF SMILES Flexibase

2985785

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[2-(2-chloro-4-methyl-phenoxy)ethoxy]ethoxy]-2-methoxy-4-[(E)-prop-1-enyl]benzene 1-[2-[2-(2-chloro-4-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)	5.22	1.93	-11.89	0	4	0	36	376.88	10	↓ MOL2 SDF SMILES Flexibase

2985837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethoxy-3-[2-[2-(4-nitrophenoxy)ethoxy]ethoxy]benzene 1-ethoxy-3-[2-[2-(4-nitrophenoxy…

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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)	3.84	1.16	-13.05	0	7	0	82	347.367	11	↓ MOL2 SDF SMILES Flexibase

2985889

Analogs

32123416
32125669
32152449

Draw Identity 99% 90% 80% 70%

Popular Name: 1-chloro-2-[2-[2-(3-methoxyphenoxy)ethoxy]ethoxy]-4-methyl-benzene 1-chloro-2-[2-[2-(3-methoxypheno…

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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)	4.56	0.85	-11.17	0	4	0	36	336.815	9	↓ MOL2 SDF SMILES Flexibase

2985952

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Popular Name: 4-[2-[2-(4-bromo-2-chloro-phenoxy)ethoxy]ethoxy]-3-methoxy-benzaldehyde 4-[2-[2-(4-bromo-2-chloro-phenox…

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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	0.51	-13.92	0	0	0	54	429.694	5	↓ MOL2 SDF SMILES Flexibase

2985953

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Popular Name: 1,2-dichloro-3-[2-[2-(2-methoxy-4-methyl-phenoxy)ethoxy]ethoxy]benzene 1,2-dichloro-3-[2-[2-(2-methoxy-…

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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)	4.77	1.03	-12.7	0	4	0	36	371.26	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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