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ZINC Item

Suppliers, Protomers, & Similar Substances

8981047

Analogs

8981051

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyloxy-N-(carbamoyl-phenyl-methyl)-3-methoxy-benzamide 4-benzyloxy-N-(carbamoyl-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)	2.69	-2.07	-17.43	3	6	0	90	390.439	8	↓ MOL2 SDF SMILES Flexibase

8981051

Analogs

8981047

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyloxy-N-(carbamoyl-phenyl-methyl)-3-methoxy-benzamide 4-benzyloxy-N-(carbamoyl-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)	2.69	-2.07	-17.38	3	6	0	90	390.439	8	↓ MOL2 SDF SMILES Flexibase

33221034

Analogs

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Popular Name: 4-[(2-cyanophenyl)methoxy]-N-[(3,4,5-trimethoxyphenyl)methyl]benzamide 4-[(2-cyanophenyl)methoxy]-N-[(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)	3.52	9.44	-15.85	1	7	0	90	432.476	9	↓ MOL2 SDF SMILES Flexibase

45853012

Analogs

7969300

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyloxy-N-[(4-hydroxyphenyl)methyl]benzamide 4-benzyloxy-N-[(4-hydroxyphenyl)…

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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	7.07	-10.56	2	4	0	59	333.387	6	↓ MOL2 SDF SMILES Flexibase

20119920

Analogs

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Popular Name: benzamide, N-(3-amino-3-oxopropyl)-4-(phenylmethoxy)-N-(phenylmethyl)- benzamide, N-(3-amino-3-oxopropy…

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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)	2.96	9.31	-15.56	2	5	0	73	388.467	9	↓ MOL2 SDF SMILES Flexibase

17972515

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-benzyloxy-3,5-dimethoxy-N-methyl-N-[(4-methylsulfanylphenyl)methyl]benzamide 4-benzyloxy-3,5-dimethoxy-N-meth…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.96	12.54	-14.23	0	5	0	48	437.561	9	↓ MOL2 SDF SMILES Flexibase

11829787

Analogs

13092202

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[4-(benzylcarbamoyl)phenoxy]methyl]benzoic 4-[[4-(benzylcarbamoyl)phenoxy]m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.09	-0.58	-56.79	1	5	-1	78	360.389	7	↓ MOL2 SDF SMILES Flexibase

11830212

Analogs

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Popular Name: 3-[[4-(benzylcarbamoyl)phenoxy]methyl]benzoic 3-[[4-(benzylcarbamoyl)phenoxy]m…

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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)	4.07	-0.58	-57.82	1	5	-1	78	360.389	7	↓ MOL2 SDF SMILES Flexibase

11830622

Analogs

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Popular Name: 2-[[4-(benzylcarbamoyl)phenoxy]methyl]benzoic 2-[[4-(benzylcarbamoyl)phenoxy]m…

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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)	3.71	-0.6	-50.84	1	5	-1	78	360.389	7	↓ MOL2 SDF SMILES Flexibase

53916287

Analogs

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Popular Name: 4-[(2-cyanophenyl)methoxy]-N-[(2-hydroxyphenyl)methyl]-N-methyl-benzamide 4-[(2-cyanophenyl)methoxy]-N-[(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)	3.60	10.75	-14.76	1	5	0	74	372.424	6	↓ MOL2 SDF SMILES Flexibase

13256918

Analogs

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Popular Name: (3S)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(4-chlorophenyl)propanoic (3S)-3-[(4-benzyloxy-3,5-dimetho…

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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)	3.23	10.67	-55.06	1	7	-1	97	468.913	10	↓ MOL2 SDF SMILES Flexibase

13256919

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(4-chlorophenyl)propanoic (3R)-3-[(4-benzyloxy-3,5-dimetho…

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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)	3.23	11.46	-50.67	1	7	-1	97	468.913	10	↓ MOL2 SDF SMILES Flexibase

13257270

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic (3R)-3-[(4-benzyloxy-3,5-dimetho…

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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)	2.20	9.34	-60.65	1	9	-1	115	494.52	12	↓ MOL2 SDF SMILES Flexibase

13257271

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(3,4-dimethoxyphenyl)propanoic (3S)-3-[(4-benzyloxy-3,5-dimetho…

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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)	2.20	9.36	-60.73	1	9	-1	115	494.52	12	↓ MOL2 SDF SMILES Flexibase

13257857

Analogs

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Popular Name: (3S)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(4-fluorophenyl)propanoic (3S)-3-[(4-benzyloxy-3,5-dimetho…

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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)	2.72	10.21	-55.19	1	7	-1	97	452.458	10	↓ MOL2 SDF SMILES Flexibase

13257858

Analogs

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Popular Name: (3R)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(4-fluorophenyl)propanoic (3R)-3-[(4-benzyloxy-3,5-dimetho…

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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)	2.72	11.01	-50.65	1	7	-1	97	452.458	10	↓ MOL2 SDF SMILES Flexibase

13258253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(p-tolyl)propanoic (3S)-3-[(4-benzyloxy-3,5-dimetho…

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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)	3.00	10.82	-58.39	1	7	-1	97	448.495	10	↓ MOL2 SDF SMILES Flexibase

13258254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(p-tolyl)propanoic (3R)-3-[(4-benzyloxy-3,5-dimetho…

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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)	3.00	11.62	-53.39	1	7	-1	97	448.495	10	↓ MOL2 SDF SMILES Flexibase

13259197

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(2-chlorophenyl)propanoic (3S)-3-[(4-benzyloxy-3,5-dimetho…

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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)	3.18	11.49	-56.06	1	7	-1	97	468.913	10	↓ MOL2 SDF SMILES Flexibase

13259198

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(2-chlorophenyl)propanoic (3R)-3-[(4-benzyloxy-3,5-dimetho…

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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)	3.18	11.04	-50.2	1	7	-1	97	468.913	10	↓ MOL2 SDF SMILES Flexibase

13261589

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]methyl]benzoic 4-[[(4-benzyloxy-3,5-dimethoxy-b…

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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	9.39	-55.19	1	7	-1	97	420.441	9	↓ MOL2 SDF SMILES Flexibase

13427432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(4-methoxyphenyl)propanoic (3R)-3-[(4-benzyloxy-3,5-dimetho…

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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)	2.61	10.24	-53.42	1	8	-1	106	464.494	11	↓ MOL2 SDF SMILES Flexibase

13427433

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-(4-methoxyphenyl)propanoic (3S)-3-[(4-benzyloxy-3,5-dimetho…

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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)	2.61	9.44	-58.87	1	8	-1	106	464.494	11	↓ MOL2 SDF SMILES Flexibase

13427954

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-phenyl-propanoic (3S)-3-[(4-benzyloxy-3,5-dimetho…

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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)	2.55	10.82	-54.07	1	7	-1	97	434.468	10	↓ MOL2 SDF SMILES Flexibase

13427955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3R)-3-[(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]-3-phenyl-propanoic (3R)-3-[(4-benzyloxy-3,5-dimetho…

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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)	2.55	10.14	-58.03	1	7	-1	97	434.468	10	↓ MOL2 SDF SMILES Flexibase

13428673

Analogs

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Popular Name: 3-[benzyl-(4-benzyloxybenzoyl)amino]propanoic 3-[benzyl-(4-benzyloxybenzoyl)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)	3.47	12.3	-48.37	0	5	-1	70	388.443	9	↓ MOL2 SDF SMILES Flexibase

13428689

Analogs

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Popular Name: 3-[benzyl-(4-benzyloxy-3-bromo-5-methoxy-benzoyl)amino]propanoic 3-[benzyl-(4-benzyloxy-3-bromo-5…

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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)	4.00	12.98	-48.26	0	6	-1	79	497.365	10	↓ MOL2 SDF SMILES Flexibase

13428992

Analogs

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Popular Name: 3-[benzyl-[4-[(2-chlorophenyl)methoxy]-3-methoxy-benzoyl]amino]propanoic 3-[benzyl-[4-[(2-chlorophenyl)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)	3.69	12.74	-48.13	0	6	-1	79	452.914	10	↓ MOL2 SDF SMILES Flexibase

13428993

Analogs

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Popular Name: 3-[benzyl-(4-benzyloxy-3-methoxy-benzoyl)amino]propanoic 3-[benzyl-(4-benzyloxy-3-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)	3.06	12.21	-47.47	0	6	-1	79	418.469	10	↓ MOL2 SDF SMILES Flexibase

13428995

Analogs

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Popular Name: 3-[benzyl-[4-[(2,4-dichlorophenyl)methoxy]-3-methoxy-benzoyl]amino]propanoic 3-[benzyl-[4-[(2,4-dichloropheny…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.35	13.25	-45.54	0	6	-1	79	487.359	10	↓ MOL2 SDF SMILES Flexibase

13429001

Analogs

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Popular Name: 3-[benzyl-[4-[(4-chlorophenyl)methoxy]-3-methoxy-benzoyl]amino]propanoic 3-[benzyl-[4-[(4-chlorophenyl)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)	3.74	12.68	-45.26	0	6	-1	79	452.914	10	↓ MOL2 SDF SMILES Flexibase

13429397

Analogs

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Popular Name: 3-[benzyl-(4-benzyloxy-3,5-dimethoxy-benzoyl)amino]propanoic 3-[benzyl-(4-benzyloxy-3,5-dimet…

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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)	3.05	11.96	-46.96	0	7	-1	88	448.495	11	↓ MOL2 SDF SMILES Flexibase

14247706

Analogs

26106256

Draw Identity 99% 90% 80% 70%

Popular Name: N-benzyl-4-benzyloxy-3-methoxy-N-methyl-benzamide N-benzyl-4-benzyloxy-3-methoxy-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)	3.54	11.56	-13.9	0	4	0	39	361.441	7	↓ MOL2 SDF SMILES Flexibase

66184511

Analogs

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Popular Name: benzamide, N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]-4-(phenylmethoxy)- benzamide, N-[[3-methoxy-4-(3-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)	5.48	12.15	-11.55	1	5	0	57	433.548	11	↓ MOL2 SDF SMILES Flexibase

66184727

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Popular Name: benzamide, N-[(3-methoxy-4-propoxyphenyl)methyl]-4-(phenylmethoxy)- benzamide, N-[(3-methoxy-4-propo…

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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)	4.71	10.84	-11.7	1	5	0	57	405.494	10	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 6544
filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 6544 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=6544&filter.purchasability=annotated

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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    window.zinc.embed('zinc-link', {
        "ring.id": "6544"        

    });
</script>

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