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ZINC Item

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17972549

Analogs

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Popular Name: (3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-car (3R)-1-(4-methoxynaphthalene-1-c…

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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)	4.03	12.88	-13.53	0	5	0	50	462.615	6	↓ MOL2 SDF SMILES Flexibase

17972552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-methoxynaphthalene-1-carbonyl)-N-methyl-N-[(4-methylsulfanylphenyl)methyl]piperidine-3-car (3S)-1-(4-methoxynaphthalene-1-c…

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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)	4.03	12.89	-13.17	0	5	0	50	462.615	6	↓ MOL2 SDF SMILES Flexibase

13256902

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3R)…

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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)	2.82	12.25	-57.34	1	6	-1	90	463.941	6	↓ MOL2 SDF SMILES Flexibase

13256903

Analogs

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Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3R)…

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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)	2.82	12.33	-58.29	1	6	-1	90	463.941	6	↓ MOL2 SDF SMILES Flexibase

13256904

Analogs

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Popular Name: (3R)-3-(4-chlorophenyl)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3R)-3-(4-chlorophenyl)-3-[[(3S)…

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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)	2.82	12.22	-57.95	1	6	-1	90	463.941	6	↓ MOL2 SDF SMILES Flexibase

13256905

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-chlorophenyl)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3S)-3-(4-chlorophenyl)-3-[[(3S)…

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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)	2.82	12.33	-57.86	1	6	-1	90	463.941	6	↓ MOL2 SDF SMILES Flexibase

13257254

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoi (3R)-3-(3,4-dimethoxyphenyl)-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)	1.79	10.16	-62.5	1	8	-1	108	489.548	8	↓ MOL2 SDF SMILES Flexibase

13257255

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoi (3S)-3-(3,4-dimethoxyphenyl)-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)	1.79	11.01	-62.72	1	8	-1	108	489.548	8	↓ MOL2 SDF SMILES Flexibase

13257256

Analogs

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Popular Name: (3R)-3-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoi (3R)-3-(3,4-dimethoxyphenyl)-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)	1.79	10.23	-62.54	1	8	-1	108	489.548	8	↓ MOL2 SDF SMILES Flexibase

13257257

Analogs

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Popular Name: (3S)-3-(3,4-dimethoxyphenyl)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoi (3S)-3-(3,4-dimethoxyphenyl)-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)	1.79	10.23	-62.6	1	8	-1	108	489.548	8	↓ MOL2 SDF SMILES Flexibase

13257841

Analogs

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Popular Name: (3R)-3-(4-fluorophenyl)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3R)-3-(4-fluorophenyl)-3-[[(3R)…

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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)	2.30	11.8	-57.37	1	6	-1	90	447.486	6	↓ MOL2 SDF SMILES Flexibase

13257842

Analogs

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Popular Name: (3S)-3-(4-fluorophenyl)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3S)-3-(4-fluorophenyl)-3-[[(3R)…

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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)	2.30	11.87	-58.4	1	6	-1	90	447.486	6	↓ MOL2 SDF SMILES Flexibase

13257843

Analogs

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Popular Name: (3R)-3-(4-fluorophenyl)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3R)-3-(4-fluorophenyl)-3-[[(3S)…

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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)	2.30	11.77	-58.03	1	6	-1	90	447.486	6	↓ MOL2 SDF SMILES Flexibase

13257844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-3-(4-fluorophenyl)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3S)-3-(4-fluorophenyl)-3-[[(3S)…

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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)	2.30	11.87	-57.86	1	6	-1	90	447.486	6	↓ MOL2 SDF SMILES Flexibase

13258237

Analogs

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Popular Name: (3R)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[(3R)-1-(naphthalene-1-c…

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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)	2.59	12.41	-60.77	1	6	-1	90	443.523	6	↓ MOL2 SDF SMILES Flexibase

13258238

Analogs

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Popular Name: (3S)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[(3R)-1-(naphthalene-1-c…

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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)	2.59	12.48	-61.66	1	6	-1	90	443.523	6	↓ MOL2 SDF SMILES Flexibase

13258239

Analogs

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Popular Name: (3R)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3R)-3-[[(3S)-1-(naphthalene-1-c…

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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)	2.59	12.38	-61.41	1	6	-1	90	443.523	6	↓ MOL2 SDF SMILES Flexibase

13258240

Analogs

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Popular Name: (3S)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]-3-(p-tolyl)propanoic (3S)-3-[[(3S)-1-(naphthalene-1-c…

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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)	2.59	12.47	-61.22	1	6	-1	90	443.523	6	↓ MOL2 SDF SMILES Flexibase

13259181

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[(3R)…

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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)	2.77	11.88	-58.13	1	6	-1	90	463.941	6	↓ MOL2 SDF SMILES Flexibase

13259182

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[(3R)…

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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)	2.77	12.37	-64.32	1	6	-1	90	463.941	6	↓ MOL2 SDF SMILES Flexibase

13259183

Analogs

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Popular Name: (3R)-3-(2-chlorophenyl)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3R)-3-(2-chlorophenyl)-3-[[(3S)…

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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)	2.77	11.95	-58.04	1	6	-1	90	463.941	6	↓ MOL2 SDF SMILES Flexibase

13259184

Analogs

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Popular Name: (3S)-3-(2-chlorophenyl)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3S)-3-(2-chlorophenyl)-3-[[(3S)…

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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)	2.77	12.34	-62.65	1	6	-1	90	463.941	6	↓ MOL2 SDF SMILES Flexibase

13261583

Analogs

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Popular Name: 4-[[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]methyl]benzoic 4-[[[(3R)-1-(naphthalene-1-carbo…

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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)	3.25	10.28	-60.98	1	6	-1	90	415.469	5	↓ MOL2 SDF SMILES Flexibase

13261584

Analogs

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Popular Name: 4-[[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]methyl]benzoic 4-[[[(3S)-1-(naphthalene-1-carbo…

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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)	3.25	10.25	-61.13	1	6	-1	90	415.469	5	↓ MOL2 SDF SMILES Flexibase

13427416

Analogs

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Popular Name: (3R)-3-(4-methoxyphenyl)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3R)-3-(4-methoxyphenyl)-3-[[(3R…

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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	11.02	-60.37	1	7	-1	99	459.522	7	↓ MOL2 SDF SMILES Flexibase

13427417

Analogs

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Popular Name: (3S)-3-(4-methoxyphenyl)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3S)-3-(4-methoxyphenyl)-3-[[(3R…

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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	11.11	-61.33	1	7	-1	99	459.522	7	↓ MOL2 SDF SMILES Flexibase

13427418

Analogs

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Popular Name: (3R)-3-(4-methoxyphenyl)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3R)-3-(4-methoxyphenyl)-3-[[(3S…

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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	11	-60.94	1	7	-1	99	459.522	7	↓ MOL2 SDF SMILES Flexibase

13427419

Analogs

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Popular Name: (3S)-3-(4-methoxyphenyl)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic (3S)-3-(4-methoxyphenyl)-3-[[(3S…

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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	11.11	-60.85	1	7	-1	99	459.522	7	↓ MOL2 SDF SMILES Flexibase

13427938

Analogs

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Popular Name: (3R)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoic (3R)-3-[[(3R)-1-(naphthalene-1-c…

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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)	2.14	10.95	-60.35	1	6	-1	90	429.496	6	↓ MOL2 SDF SMILES Flexibase

13427939

Analogs

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Popular Name: (3S)-3-[[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoic (3S)-3-[[(3R)-1-(naphthalene-1-c…

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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)	2.14	11.81	-61.5	1	6	-1	90	429.496	6	↓ MOL2 SDF SMILES Flexibase

13427940

Analogs

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Popular Name: (3R)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoic (3R)-3-[[(3S)-1-(naphthalene-1-c…

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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)	2.14	11.7	-61.14	1	6	-1	90	429.496	6	↓ MOL2 SDF SMILES Flexibase

13427941

Analogs

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Popular Name: (3S)-3-[[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]-3-phenyl-propanoic (3S)-3-[[(3S)-1-(naphthalene-1-c…

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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)	2.14	11.8	-61.12	1	6	-1	90	429.496	6	↓ MOL2 SDF SMILES Flexibase

13429379

Analogs

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Popular Name: 3-[benzyl-[(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic 3-[benzyl-[(3R)-1-(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)	3.10	13.14	-64.41	0	6	-1	81	443.523	7	↓ MOL2 SDF SMILES Flexibase

13429382

Analogs

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Popular Name: 3-[benzyl-[(3S)-1-(naphthalene-1-carbonyl)piperidine-3-carbonyl]amino]propanoic 3-[benzyl-[(3S)-1-(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)	3.10	13.03	-67.65	0	6	-1	81	443.523	7	↓ MOL2 SDF SMILES Flexibase

16884369

Analogs

23595096
23595100
39639061
39639062

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Popular Name: (3R)-1-(4-methoxynaphthalene-1-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide (3R)-1-(4-methoxynaphthalene-1-c…

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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)	3.36	9.38	-14	1	6	0	68	432.52	6	↓ MOL2 SDF SMILES Flexibase

16884372

Analogs

23595096
23595100
39638565
39638566
39639061

Draw Identity 99% 90% 80% 70%

Popular Name: (3S)-1-(4-methoxynaphthalene-1-carbonyl)-N-[(2-methoxyphenyl)methyl]piperidine-3-carboxamide (3S)-1-(4-methoxynaphthalene-1-c…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.36	9.36	-14.1	1	6	0	68	432.52	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 40764
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 = 40764 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=40764&filter.purchasability=annotated

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "40764"        

    });
</script>

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