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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

5778378

Analogs

6241076
3089765
725790

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(3-bromophenoxy)-N-(2-naphthyl)acetamide 2-(3-bromophenoxy)-N-(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)	4.77	-0.19	-14.62	1	3	0	38	356.219	4	↓ MOL2 SDF SMILES Flexibase

5779294

Analogs

5347464
447488

Draw Identity 99% 90% 80% 70%

Popular Name: acetamide, 2-(4-chloro-3-methylphenoxy)-N-2-naphthalenyl- acetamide, 2-(4-chloro-3-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)	5.04	0.73	-13.18	1	3	0	38	325.795	4	↓ MOL2 SDF SMILES Flexibase

6541145

Analogs

39579050
3510644
4494094

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-(2-naphthyl)acetamide 2-(4-cyano-2-ethoxy-phenoxy)-N-(…

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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)	3.70	2.21	-18.94	1	5	0	71	346.386	6	↓ MOL2 SDF SMILES Flexibase

13013989

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-[2-(2-naphthylamino)-2-oxo-ethoxy]phenyl]propanoic 3-[2-[2-(2-naphthylamino)-2-oxo-…

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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	10.52	-68.46	1	5	-1	78	348.378	7	↓ MOL2 SDF SMILES Flexibase

13014509

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,3,5-trichloro-6-[2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 2,3,5-trichloro-6-[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)	5.37	10.54	-56.95	1	5	-1	78	423.659	5	↓ MOL2 SDF SMILES Flexibase

13273115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(4-acetyl-2-methoxy-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(4-acetyl-2-methoxy-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)	3.49	9.47	-56.54	1	7	-1	105	392.387	7	↓ MOL2 SDF SMILES Flexibase

13273644

Analogs

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Popular Name: 3-[[2-(2-carboxy-5-methyl-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2-carboxy-5-methyl-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)	4.37	10.01	-124.12	1	7	-2	119	377.352	6	↓ MOL2 SDF SMILES Flexibase

13273673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(2-carboxy-4-methyl-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2-carboxy-4-methyl-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)	4.37	10.01	-124.68	1	7	-2	119	377.352	6	↓ MOL2 SDF SMILES Flexibase

13273776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(2-carboxy-4-chloro-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2-carboxy-4-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)	4.60	9.93	-119.07	1	7	-2	119	397.77	6	↓ MOL2 SDF SMILES Flexibase

13273803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[4-[(E)-3-hydroxy-3-oxo-prop-1-enyl]-2-methoxy-phenoxy]acetyl]amino]naphthalene-2-carboxylic 3-[[2-[4-[(E)-3-hydroxy-3-oxo-pr…

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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	9.84	-107.35	1	8	-2	128	419.389	8	↓ MOL2 SDF SMILES Flexibase

13273825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(2-carboxy-4-iodo-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2-carboxy-4-iodo-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)	5.00	10.51	-118.95	1	7	-2	119	489.221	6	↓ MOL2 SDF SMILES Flexibase

13273839

Analogs

13171602

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(4-carboxyphenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(4-carboxyphenoxy)acetyl]a…

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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	8.93	-104.99	1	7	-2	119	363.325	6	↓ MOL2 SDF SMILES Flexibase

13273866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(3-carboxyphenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(3-carboxyphenoxy)acetyl]a…

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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)	3.89	8.91	-109.37	1	7	-2	119	363.325	6	↓ MOL2 SDF SMILES Flexibase

13273895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(2-carboxyphenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2-carboxyphenoxy)acetyl]a…

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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)	3.95	9.41	-124.55	1	7	-2	119	363.325	6	↓ MOL2 SDF SMILES Flexibase

13273996

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(2-carboxy-5-chloro-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2-carboxy-5-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)	4.60	9.94	-117.04	1	7	-2	119	397.77	6	↓ MOL2 SDF SMILES Flexibase

13274023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(4-carboxy-2-chloro-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(4-carboxy-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)	4.52	9.46	-102.8	1	7	-2	119	397.77	6	↓ MOL2 SDF SMILES Flexibase

13274056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(2-carboxy-5-methoxy-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2-carboxy-5-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)	3.98	8.64	-122.21	1	8	-2	128	393.351	7	↓ MOL2 SDF SMILES Flexibase

13274085

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(2-carboxy-4-methoxy-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2-carboxy-4-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)	3.98	8.63	-124.13	1	8	-2	128	393.351	7	↓ MOL2 SDF SMILES Flexibase

13274112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(2-bromo-4-carboxy-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2-bromo-4-carboxy-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)	4.65	9.57	-102.77	1	7	-2	119	442.221	6	↓ MOL2 SDF SMILES Flexibase

13274605

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-[(3-carboxy-2-naphthyl)amino]-2-oxo-ethoxy]benzene-1,3-dicarboxylic 5-[2-[(3-carboxy-2-naphthyl)amin…

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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)	3.75	8.54	-178.61	1	9	-3	159	406.326	7	↓ MOL2 SDF SMILES Flexibase

13274627

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(5-carboxy-2-nitro-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(5-carboxy-2-nitro-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)	3.80	10.06	-103.91	1	10	-2	164	408.322	7	↓ MOL2 SDF SMILES Flexibase

13274751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-[2-(carboxymethyloxy)phenoxy]acetyl]amino]naphthalene-2-carboxylic 3-[[2-[2-(carboxymethyloxy)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)	2.86	9.48	-116.93	1	8	-2	128	393.351	8	↓ MOL2 SDF SMILES Flexibase

13274951

Analogs

13171540

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(4-acetylphenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(4-acetylphenoxy)acetyl]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)	3.90	9.63	-53.8	1	6	-1	96	362.361	6	↓ MOL2 SDF SMILES Flexibase

13275094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(3-nitrophenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(3-nitrophenoxy)acetyl]ami…

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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	9.91	-52.95	1	8	-1	124	365.321	6	↓ MOL2 SDF SMILES Flexibase

13275119

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[2-(3-chloro-4-fluoro-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(3-chloro-4-fluoro-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)	4.77	9.86	-49.74	1	5	-1	78	372.759	5	↓ MOL2 SDF SMILES Flexibase

13275189

Analogs

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Popular Name: 3-[[2-(2,3-dichlorophenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2,3-dichlorophenoxy)acety…

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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)	5.26	10.29	-52.55	1	5	-1	78	389.214	5	↓ MOL2 SDF SMILES Flexibase

13275214

Analogs

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Popular Name: 3-[[2-(4-propanoylphenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(4-propanoylphenoxy)acetyl…

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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	10.52	-52.78	1	6	-1	96	376.388	7	↓ MOL2 SDF SMILES Flexibase

13275470

Analogs

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Popular Name: 3-[[2-(2,5-dichlorophenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2,5-dichlorophenoxy)acety…

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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)	5.29	10.35	-51.11	1	5	-1	78	389.214	5	↓ MOL2 SDF SMILES Flexibase

13275658

Analogs

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Popular Name: 3-[[2-(4-methoxy-2-nitro-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(4-methoxy-2-nitro-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)	3.94	9.67	-58.99	1	9	-1	134	395.347	7	↓ MOL2 SDF SMILES Flexibase

13275821

Analogs

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Popular Name: 3-[[2-(2,3,5,6-tetrafluorophenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(2,3,5,6-tetrafluorophenox…

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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)	4.44	9.69	-52.3	1	5	-1	78	392.284	5	↓ MOL2 SDF SMILES Flexibase

13276088

Analogs

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Popular Name: 3-[[2-(4-cyano-2-ethoxy-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(4-cyano-2-ethoxy-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)	3.72	10.32	-53.5	1	7	-1	111	389.387	7	↓ MOL2 SDF SMILES Flexibase

13278210

Analogs

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Popular Name: 3-[[2-(5-carboxy-2-methyl-phenoxy)acetyl]amino]naphthalene-2-carboxylic 3-[[2-(5-carboxy-2-methyl-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)	4.29	9.54	-111.68	1	7	-2	119	377.352	6	↓ MOL2 SDF SMILES Flexibase

13410643

Analogs

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Popular Name: 2-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 2-[(1R)-1-methyl-2-(2-naphthylam…

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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	10	-76.03	1	5	-1	78	334.351	5	↓ MOL2 SDF SMILES Flexibase

13410647

Analogs

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Popular Name: 2-[(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 2-[(1S)-1-methyl-2-(2-naphthylam…

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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	10.01	-75.99	1	5	-1	78	334.351	5	↓ MOL2 SDF SMILES Flexibase

13412950

Analogs

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Popular Name: 4-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 4-[(1R)-1-methyl-2-(2-naphthylam…

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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)	4.26	9.49	-56.99	1	5	-1	78	334.351	5	↓ MOL2 SDF SMILES Flexibase

13412952

Analogs

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Popular Name: 4-[(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 4-[(1S)-1-methyl-2-(2-naphthylam…

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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)	4.26	9.52	-58.12	1	5	-1	78	334.351	5	↓ MOL2 SDF SMILES Flexibase

13419029

Analogs

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Popular Name: 3-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 3-[(1R)-1-methyl-2-(2-naphthylam…

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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)	4.23	9.5	-65.02	1	5	-1	78	334.351	5	↓ MOL2 SDF SMILES Flexibase

13419030

Analogs

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Popular Name: 3-[(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 3-[(1S)-1-methyl-2-(2-naphthylam…

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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)	4.23	9.49	-65.46	1	5	-1	78	334.351	5	↓ MOL2 SDF SMILES Flexibase

13419571

Analogs

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Popular Name: 3-methoxy-4-[2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 3-methoxy-4-[2-(2-naphthylamino)…

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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	8.65	-59.01	1	6	-1	88	350.35	6	↓ MOL2 SDF SMILES Flexibase

13420025

Analogs

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Popular Name: 3-methoxy-4-[(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 3-methoxy-4-[(1S)-1-methyl-2-(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)	3.85	9.25	-58.8	1	6	-1	88	364.377	6	↓ MOL2 SDF SMILES Flexibase

13420026

Analogs

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Popular Name: 3-methoxy-4-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 3-methoxy-4-[(1R)-1-methyl-2-(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)	3.85	9.26	-58.34	1	6	-1	88	364.377	6	↓ MOL2 SDF SMILES Flexibase

13420742

Analogs

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Popular Name: 2-[4-[2-(2-naphthylamino)-2-oxo-ethoxy]phenyl]acetic 2-[4-[2-(2-naphthylamino)-2-oxo-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.41	9.69	-56.22	1	5	-1	78	334.351	6	↓ MOL2 SDF SMILES Flexibase

13421152

Analogs

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Popular Name: 2-[4-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]phenyl]acetic 2-[4-[(1R)-1-methyl-2-(2-naphthy…

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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	10.31	-55.95	1	5	-1	78	348.378	6	↓ MOL2 SDF SMILES Flexibase

13421153

Analogs

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Popular Name: 2-[4-[(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]phenyl]acetic 2-[4-[(1S)-1-methyl-2-(2-naphthy…

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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	10.31	-55.97	1	5	-1	78	348.378	6	↓ MOL2 SDF SMILES Flexibase

13421813

Analogs

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Popular Name: 4-[2-(2-naphthylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[2-(2-naphthylamino)-2-oxo-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)	3.81	9.02	-132.97	1	7	-2	119	363.325	6	↓ MOL2 SDF SMILES Flexibase

13422291

Analogs

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Popular Name: 4-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[(1R)-1-methyl-2-(2-naphthylam…

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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	9.63	-133.39	1	7	-2	119	377.352	6	↓ MOL2 SDF SMILES Flexibase

13422292

Analogs

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Popular Name: 4-[(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzene-1,3-dicarboxylic 4-[(1S)-1-methyl-2-(2-naphthylam…

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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	9.62	-133.97	1	7	-2	119	377.352	6	↓ MOL2 SDF SMILES Flexibase

13422995

Analogs

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Popular Name: 3,5-dichloro-4-[2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[2-(2-naphthylami…

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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)	5.10	10.1	-48.39	1	5	-1	78	389.214	5	↓ MOL2 SDF SMILES Flexibase

13423393

Analogs

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Popular Name: 3,5-dichloro-4-[(1R)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[(1R)-1-methyl-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)	5.47	10.57	-49.17	1	5	-1	78	403.241	5	↓ MOL2 SDF SMILES Flexibase

13423394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dichloro-4-[(1S)-1-methyl-2-(2-naphthylamino)-2-oxo-ethoxy]benzoic 3,5-dichloro-4-[(1S)-1-methyl-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)	5.47	10.61	-48.97	1	5	-1	78	403.241	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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