ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

13011780

Analogs

34684959

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-phenylpiperidine-1-carbonyl)benzonitrile 4-(4-phenylpiperidine-1-carbonyl…

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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)	3.13	10.27	-10.78	0	3	0	44	290.366	2	↓ MOL2 SDF SMILES Flexibase

13257402

Analogs

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Popular Name: 1-[3-(dipropylsulfamoyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[3-(dipropylsulfamoyl)benzoyl]…

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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)	3.26	10.32	-52.61	0	7	-1	98	471.599	9	↓ MOL2 SDF SMILES Flexibase

13257404

Analogs

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Popular Name: 1-(4-dimethylamino-3-nitro-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(4-dimethylamino-3-nitro-benzo…

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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)	2.21	10.28	-48.3	0	8	-1	109	396.423	5	↓ MOL2 SDF SMILES Flexibase

13257407

Analogs

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Popular Name: 1-(3-methylsulfonylbenzoyl)-4-phenyl-piperidine-4-carboxylic 1-(3-methylsulfonylbenzoyl)-4-ph…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	6.63	-56.97	0	6	-1	95	386.449	4	↓ MOL2 SDF SMILES Flexibase

13257409

Analogs

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Popular Name: 1-[3,5-dichloro-2-(difluoromethoxy)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[3,5-dichloro-2-(difluorometho…

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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)	4.59	9.97	-47.36	0	5	-1	70	443.253	5	↓ MOL2 SDF SMILES Flexibase

13257420

Analogs

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Popular Name: 1-(3-chloro-5-ethoxy-4-propoxy-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(3-chloro-5-ethoxy-4-propoxy-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)	3.92	11.6	-47.06	0	6	-1	79	444.935	8	↓ MOL2 SDF SMILES Flexibase

13257440

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3,4-dimethyl-5-(methylsulfamoyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[3,4-dimethyl-5-(methylsulfamo…

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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)	2.04	6.65	-55	1	7	-1	107	429.518	5	↓ MOL2 SDF SMILES Flexibase

13257457

Analogs

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Popular Name: 1-[4-(acetamidomethyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[4-(acetamidomethyl)benzoyl]-4…

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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)	1.14	8.08	-52.58	1	6	-1	90	379.436	5	↓ MOL2 SDF SMILES Flexibase

13257466

Analogs

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Popular Name: 1-(3-bromo-4-methoxy-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(3-bromo-4-methoxy-benzoyl)-4-…

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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)	3.01	9	-47.55	0	5	-1	70	417.279	4	↓ MOL2 SDF SMILES Flexibase

13257470

Analogs

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Popular Name: 1-[3-(methoxy-methyl-sulfamoyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[3-(methoxy-methyl-sulfamoyl)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)	1.47	7.25	-54.25	0	8	-1	107	431.49	6	↓ MOL2 SDF SMILES Flexibase

13257472

Analogs

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Popular Name: 1-(2-bromo-4-fluoro-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(2-bromo-4-fluoro-benzoyl)-4-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	9.68	-45.55	0	4	-1	60	405.243	3	↓ MOL2 SDF SMILES Flexibase

13257473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2,4-dichloro-5-fluoro-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(2,4-dichloro-5-fluoro-benzoyl…

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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)	3.59	10.12	-46.06	0	4	-1	60	395.237	3	↓ MOL2 SDF SMILES Flexibase

13257482

Analogs

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Popular Name: 1-[4-methoxy-3-(methoxy-methyl-sulfamoyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[4-methoxy-3-(methoxy-methyl-s…

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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)	1.48	7.07	-55.18	0	9	-1	116	461.516	7	↓ MOL2 SDF SMILES Flexibase

13257488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-methoxy-5-nitro-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(2-methoxy-5-nitro-benzoyl)-4-…

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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)	2.71	9.66	-56.18	0	8	-1	115	383.38	5	↓ MOL2 SDF SMILES Flexibase

13257491

Analogs

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Popular Name: 1-(2-methoxy-5-methyl-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(2-methoxy-5-methyl-benzoyl)-4…

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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)	3.20	9.66	-53.31	0	5	-1	70	352.41	4	↓ MOL2 SDF SMILES Flexibase

13257506

Analogs

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Popular Name: 1-[4-(methoxy-methyl-sulfamoyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[4-(methoxy-methyl-sulfamoyl)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)	1.49	7.01	-51.19	0	8	-1	107	431.49	6	↓ MOL2 SDF SMILES Flexibase

13257512

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(3-fluoro-4-methyl-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(3-fluoro-4-methyl-benzoyl)-4-…

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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)	2.76	9.8	-48.91	0	4	-1	60	340.374	3	↓ MOL2 SDF SMILES Flexibase

13257519

Analogs

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Popular Name: 4-phenyl-1-[4-(trifluoromethylsulfanyl)benzoyl]piperidine-4-carboxylic 4-phenyl-1-[4-(trifluoromethylsu…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.20	10.53	-47.14	0	4	-1	60	408.421	5	↓ MOL2 SDF SMILES Flexibase

13257520

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-bromo-2-fluoro-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(4-bromo-2-fluoro-benzoyl)-4-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	9.73	-46.94	0	4	-1	60	405.243	3	↓ MOL2 SDF SMILES Flexibase

13257523

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chloro-2-fluoro-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(4-chloro-2-fluoro-benzoyl)-4-…

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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)	2.99	9.62	-47.11	0	4	-1	60	360.792	3	↓ MOL2 SDF SMILES Flexibase

13257544

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[3-(methylsulfonylmethyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[3-(methylsulfonylmethyl)benzo…

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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)	1.56	7.31	-63.02	0	6	-1	95	400.476	5	↓ MOL2 SDF SMILES Flexibase

13257547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(5-methylsulfanyl-2-nitro-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(5-methylsulfanyl-2-nitro-benz…

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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)	2.54	11.61	-55.48	0	7	-1	106	399.448	5	↓ MOL2 SDF SMILES Flexibase

13257553

Analogs

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Popular Name: 1-(2-bromo-5-fluoro-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(2-bromo-5-fluoro-benzoyl)-4-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	9.74	-48.16	0	4	-1	60	405.243	3	↓ MOL2 SDF SMILES Flexibase

13257561

Analogs

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Popular Name: 1-[3-(isopropylsulfamoyl)-4-methoxy-benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[3-(isopropylsulfamoyl)-4-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)	1.94	6.42	-53.92	1	8	-1	116	459.544	7	↓ MOL2 SDF SMILES Flexibase

13257562

Analogs

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Popular Name: 1-[4-(isopropylsulfamoyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[4-(isopropylsulfamoyl)benzoyl…

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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)	1.96	6.72	-51.34	1	7	-1	107	429.518	6	↓ MOL2 SDF SMILES Flexibase

13257563

Analogs

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Popular Name: 4-phenyl-1-[4-(sec-butylsulfamoyl)benzoyl]piperidine-4-carboxylic 4-phenyl-1-[4-(sec-butylsulfamoy…

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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)	2.50	7.51	-52.08	1	7	-1	107	443.545	7	↓ MOL2 SDF SMILES Flexibase

13257564

Analogs

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Popular Name: 4-phenyl-1-[4-(sec-butylsulfamoyl)benzoyl]piperidine-4-carboxylic 4-phenyl-1-[4-(sec-butylsulfamoy…

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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)	2.50	7.57	-51.34	1	7	-1	107	443.545	7	↓ MOL2 SDF SMILES Flexibase

13257566

Analogs

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Popular Name: 1-[3-(allylsulfamoyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[3-(allylsulfamoyl)benzoyl]-4-…

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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)	1.91	6.66	-53.48	1	7	-1	107	427.502	7	↓ MOL2 SDF SMILES Flexibase

13257569

Analogs

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Popular Name: 1-[4-(ethylsulfamoyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[4-(ethylsulfamoyl)benzoyl]-4-…

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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)	1.66	6.07	-51.47	1	7	-1	107	415.491	6	↓ MOL2 SDF SMILES Flexibase

13257570

Analogs

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Popular Name: 1-[4-(allylsulfamoyl)benzoyl]-4-phenyl-piperidine-4-carboxylic 1-[4-(allylsulfamoyl)benzoyl]-4-…

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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)	1.93	6.66	-52.22	1	7	-1	107	427.502	7	↓ MOL2 SDF SMILES Flexibase

13257571

Analogs

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Popular Name: 4-phenyl-1-[3-(prop-2-ynylsulfamoyl)benzoyl]piperidine-4-carboxylic 4-phenyl-1-[3-(prop-2-ynylsulfam…

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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)	1.42	6.6	-54.8	1	7	-1	107	425.486	6	↓ MOL2 SDF SMILES Flexibase

13257572

Analogs

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Popular Name: 4-phenyl-1-[4-(prop-2-ynylsulfamoyl)benzoyl]piperidine-4-carboxylic 4-phenyl-1-[4-(prop-2-ynylsulfam…

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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)	1.45	6.6	-53.43	1	7	-1	107	425.486	6	↓ MOL2 SDF SMILES Flexibase

13272983

Analogs

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Popular Name: 1-(2-methyl-6-nitro-benzoyl)-4-phenyl-piperidine-4-carboxylic 1-(2-methyl-6-nitro-benzoyl)-4-p…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	10.71	-64.46	0	7	-1	106	367.381	4	↓ MOL2 SDF SMILES Flexibase

22992683

Analogs

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Popular Name: N-[3-(4-phenylpiperidine-1-carbonyl)phenyl]ethanesulfonamide N-[3-(4-phenylpiperidine-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)	2.96	7.59	-16.19	1	5	0	66	372.49	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.96	7.67	-38.69	0	5	-1	69	371.482	5	↓ MOL2 SDF SMILES Flexibase

55119107

Analogs

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Popular Name: (4-hydroxy-4-phenyl-1-piperidyl)-[3-(2-methylallyloxy)phenyl]methanone (4-hydroxy-4-phenyl-1-piperidyl)…

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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)	3.55	8.47	-9.71	1	4	0	50	351.446	5	↓ MOL2 SDF SMILES Flexibase

65529513

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Popular Name: methyl methyl

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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)	2.41	8.14	-17.19	1	5	0	67	357.381	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 38712
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 = 38712 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=38712&filter.purchasability=annotated

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "ring.id": "38712"        

    });
</script>

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