ZINC 12

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ZINC Item

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13252485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2,4-difluorophenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2,4-difluorophenyl)amino]…

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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)	3.38	8.11	-57.54	1	4	-1	69	310.32	4	↓ MOL2 SDF SMILES Flexibase

13252498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[2-[(2,5-difluorophenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2,5-difluorophenyl)amino]…

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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)	3.38	7.63	-62.81	1	4	-1	69	310.32	4	↓ MOL2 SDF SMILES Flexibase

13252510

Analogs

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Popular Name: 1-[2-[(3-acetylphenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(3-acetylphenyl)amino]-2-o…

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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	7.9	-82.89	1	5	-1	86	316.377	5	↓ MOL2 SDF SMILES Flexibase

13252524

Analogs

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Popular Name: 1-[2-[(4-bromo-2-fluoro-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(4-bromo-2-fluoro-phenyl)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)	4.03	8.66	-57.6	1	4	-1	69	371.226	4	↓ MOL2 SDF SMILES Flexibase

13252538

Analogs

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Popular Name: 1-[2-[(4-bromo-3-methyl-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(4-bromo-3-methyl-phenyl)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)	4.31	8.63	-62.64	1	4	-1	69	367.263	4	↓ MOL2 SDF SMILES Flexibase

13252560

Analogs

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Popular Name: 1-[2-[(2-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2-chloro-4-fluoro-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)	3.90	8.6	-57.67	1	4	-1	69	326.775	4	↓ MOL2 SDF SMILES Flexibase

13252568

Analogs

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Popular Name: 1-[2-[(2,3-dichlorophenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2,3-dichlorophenyl)amino]…

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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)	4.39	8.53	-56.17	1	4	-1	69	343.23	4	↓ MOL2 SDF SMILES Flexibase

13252578

Analogs

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Popular Name: 1-[2-[(3,4-difluorophenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(3,4-difluorophenyl)amino]…

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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)	3.38	7.55	-57.6	1	4	-1	69	310.32	4	↓ MOL2 SDF SMILES Flexibase

13252606

Analogs

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Popular Name: 1-[2-[[3,5-bis(methoxycarbonyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[3,5-bis(methoxycarbonyl)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)	3.40	8.75	-71.59	1	8	-1	122	390.412	8	↓ MOL2 SDF SMILES Flexibase

13252620

Analogs

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Popular Name: 1-[2-[(3-chloro-4-fluoro-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(3-chloro-4-fluoro-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)	3.90	8	-57.94	1	4	-1	69	326.775	4	↓ MOL2 SDF SMILES Flexibase

13252632

Analogs

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Popular Name: 1-[2-[(3,5-dimethylphenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(3,5-dimethylphenyl)amino]…

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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	8.78	-65.96	1	4	-1	69	302.394	4	↓ MOL2 SDF SMILES Flexibase

13252647

Analogs

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Popular Name: 1-[2-[(4-chloro-2-fluoro-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(4-chloro-2-fluoro-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)	3.90	8.56	-57.61	1	4	-1	69	326.775	4	↓ MOL2 SDF SMILES Flexibase

13252661

Analogs

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Popular Name: 1-[2-[(5-fluoro-2-methyl-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(5-fluoro-2-methyl-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)	3.67	8.98	-72.63	1	4	-1	69	306.357	4	↓ MOL2 SDF SMILES Flexibase

13253076

Analogs

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Popular Name: 1-[2-[(2-bromophenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2-bromophenyl)amino]-2-ox…

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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	8.19	-59.98	1	4	-1	69	353.236	4	↓ MOL2 SDF SMILES Flexibase

13253102

Analogs

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Popular Name: 1-[2-[(3,5-dimethoxyphenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(3,5-dimethoxyphenyl)amino…

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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)	3.17	6.05	-69.08	1	6	-1	88	334.392	6	↓ MOL2 SDF SMILES Flexibase

13253192

Analogs

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Popular Name: 1-[2-[[4-chloro-3-(dimethylsulfamoyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[4-chloro-3-(dimethylsulfa…

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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	5.75	-61.4	1	7	-1	107	415.919	6	↓ MOL2 SDF SMILES Flexibase

13253206

Analogs

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Popular Name: 1-[2-[(4-acetylphenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(4-acetylphenyl)amino]-2-o…

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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)	3.03	7.91	-61.55	1	5	-1	86	316.377	5	↓ MOL2 SDF SMILES Flexibase

13253220

Analogs

43413593

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Popular Name: 1-[2-[(4-cyanophenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(4-cyanophenyl)amino]-2-ox…

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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)	2.88	7.84	-62.81	1	5	-1	93	299.35	4	↓ MOL2 SDF SMILES Flexibase

13253234

Analogs

31979649
31979651
31979653
31979655

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Popular Name: 1-[2-oxo-2-[(2,3,4-trifluorophenyl)amino]ethyl]cycloheptane-1-carboxylic 1-[2-oxo-2-[(2,3,4-trifluorophen…

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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	8.29	-54.25	1	4	-1	69	328.31	4	↓ MOL2 SDF SMILES Flexibase

13253248

Analogs

37794684
37794685
37794686
37794687

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Popular Name: 1-[2-[(2-chloro-5-nitro-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2-chloro-5-nitro-phenyl)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)	3.69	8.72	-70.26	1	7	-1	115	353.782	5	↓ MOL2 SDF SMILES Flexibase

13253262

Analogs

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Popular Name: 1-[2-oxo-2-[[4-(trifluoromethyl)phenyl]amino]ethyl]cycloheptane-1-carboxylic 1-[2-oxo-2-[[4-(trifluoromethyl)…

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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)	4.02	8.44	-61.87	1	4	-1	69	342.337	5	↓ MOL2 SDF SMILES Flexibase

13253275

Analogs

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Popular Name: 1-[2-[(3-methylsulfanylphenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(3-methylsulfanylphenyl)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)	3.54	8.46	-62.64	1	4	-1	69	320.434	5	↓ MOL2 SDF SMILES Flexibase

13253299

Analogs

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Popular Name: 1-[2-oxo-2-[[2-(trifluoromethyl)phenyl]amino]ethyl]cycloheptane-1-carboxylic 1-[2-oxo-2-[[2-(trifluoromethyl)…

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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)	3.97	9.32	-61.18	1	4	-1	69	342.337	5	↓ MOL2 SDF SMILES Flexibase

13253315

Analogs

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Popular Name: 1-[2-oxo-2-[(3,4,5-trimethoxyphenyl)amino]ethyl]cycloheptane-1-carboxylic 1-[2-oxo-2-[(3,4,5-trimethoxyphe…

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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	6.56	-64.63	1	7	-1	97	364.418	7	↓ MOL2 SDF SMILES Flexibase

13253336

Analogs

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Popular Name: 1-[2-oxo-2-[(4-thiocyanatophenyl)amino]ethyl]cycloheptane-1-carboxylic 1-[2-oxo-2-[(4-thiocyanatophenyl…

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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)	3.33	7.99	-70.7	1	5	-1	93	331.417	5	↓ MOL2 SDF SMILES Flexibase

13253348

Analogs

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Popular Name: 1-[2-[(4-chloro-2-methyl-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(4-chloro-2-methyl-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)	4.18	8.81	-62.28	1	4	-1	69	322.812	4	↓ MOL2 SDF SMILES Flexibase

13253385

Analogs

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Popular Name: 1-[2-[[3,5-bis(trifluoromethyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[3,5-bis(trifluoromethyl)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)	4.85	9.46	-61.08	1	4	-1	69	410.334	6	↓ MOL2 SDF SMILES Flexibase

13253429

Analogs

37796168
37796169
37796170
37796171

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Popular Name: 1-[2-[[2-chloro-5-(diethylsulfamoyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[2-chloro-5-(diethylsulfam…

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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	7.77	-70.97	1	7	-1	107	443.973	8	↓ MOL2 SDF SMILES Flexibase

13253470

Analogs

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Popular Name: 1-[2-[[4-chloro-3-(diethylsulfamoyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[4-chloro-3-(diethylsulfam…

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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	7.83	-65.97	1	7	-1	107	443.973	8	↓ MOL2 SDF SMILES Flexibase

13253512

Analogs

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Popular Name: 1-[2-[[4-(diethylcarbamoyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[4-(diethylcarbamoyl)pheny…

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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)	2.85	9.15	-72.14	1	6	-1	90	373.473	7	↓ MOL2 SDF SMILES Flexibase

13253613

Analogs

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Popular Name: 1-[2-[(2,4-dibromophenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2,4-dibromophenyl)amino]-…

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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)	4.67	9.3	-57.57	1	4	-1	69	432.132	4	↓ MOL2 SDF SMILES Flexibase

13253625

Analogs

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Popular Name: 1-[2-[(2-methylsulfanylphenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2-methylsulfanylphenyl)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)	3.51	8.58	-63.9	1	4	-1	69	320.434	5	↓ MOL2 SDF SMILES Flexibase

13253646

Analogs

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Popular Name: 1-[2-oxo-2-[(2,4,5-trichlorophenyl)amino]ethyl]cycloheptane-1-carboxylic 1-[2-oxo-2-[(2,4,5-trichlorophen…

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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)	5.02	9.63	-59.84	1	4	-1	69	377.675	4	↓ MOL2 SDF SMILES Flexibase

13253660

Analogs

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Popular Name: 1-[2-[(4-chloro-3-nitro-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(4-chloro-3-nitro-phenyl)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)	3.69	8.48	-54.92	1	7	-1	115	353.782	5	↓ MOL2 SDF SMILES Flexibase

13253671

Analogs

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Popular Name: 1-[2-[(2-ethoxyphenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2-ethoxyphenyl)amino]-2-o…

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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)	3.51	7.8	-64.1	1	5	-1	78	318.393	6	↓ MOL2 SDF SMILES Flexibase

13253703

Analogs

37795036
37795037
37795038
37795039

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Popular Name: 1-[2-[(2-fluoro-5-nitro-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2-fluoro-5-nitro-phenyl)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)	3.18	8.23	-70.71	1	7	-1	115	337.327	5	↓ MOL2 SDF SMILES Flexibase

13253713

Analogs

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Popular Name: 1-[2-[(4-fluoro-3-nitro-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(4-fluoro-3-nitro-phenyl)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)	3.18	8.13	-55.35	1	7	-1	115	337.327	5	↓ MOL2 SDF SMILES Flexibase

13253727

Analogs

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Popular Name: 1-[2-[(4-ethylphenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(4-ethylphenyl)amino]-2-ox…

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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)	4.04	8.87	-65.48	1	4	-1	69	302.394	5	↓ MOL2 SDF SMILES Flexibase

13253735

Analogs

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Popular Name: 1-[2-[(2-methoxy-5-methyl-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(2-methoxy-5-methyl-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)	3.56	7.54	-65.17	1	5	-1	78	318.393	5	↓ MOL2 SDF SMILES Flexibase

13253770

Analogs

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Popular Name: 1-[2-[(3-fluoro-4-methyl-phenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(3-fluoro-4-methyl-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)	3.67	8.66	-61.89	1	4	-1	69	306.357	4	↓ MOL2 SDF SMILES Flexibase

13253831

Analogs

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Popular Name: 1-[2-[[4-(butyl-methyl-sulfamoyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[4-(butyl-methyl-sulfamoyl…

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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	7.81	-67.66	1	7	-1	107	423.555	9	↓ MOL2 SDF SMILES Flexibase

13253850

Analogs

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Popular Name: 1-[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[3-(diethylcarbamoyl)pheny…

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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	8.95	-89.29	1	6	-1	90	373.473	7	↓ MOL2 SDF SMILES Flexibase

13253871

Analogs

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Popular Name: 1-[2-[[4-(isopropylsulfamoyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[4-(isopropylsulfamoyl)phe…

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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)	2.87	5.1	-67.73	2	7	-1	115	395.501	7	↓ MOL2 SDF SMILES Flexibase

13253890

Analogs

37796030
37796031
37796032
37796033

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Popular Name: 1-[2-[[4-(methylsulfamoyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[4-(methylsulfamoyl)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)	2.19	3.61	-68.13	2	7	-1	115	367.447	6	↓ MOL2 SDF SMILES Flexibase

13253911

Analogs

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Popular Name: 1-[2-[(4-isopropoxycarbonylphenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(4-isopropoxycarbonylpheny…

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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)	4.04	9.73	-63.16	1	6	-1	96	360.43	7	↓ MOL2 SDF SMILES Flexibase

13253929

Analogs

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Popular Name: 1-[2-[[4-(isopropyl-methyl-sulfamoyl)phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[4-(isopropyl-methyl-sulfa…

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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)	3.11	7.39	-70.99	1	7	-1	107	409.528	7	↓ MOL2 SDF SMILES Flexibase

13253961

Analogs

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Popular Name: 1-[2-[[4-[[(1R)-2-methoxy-1-methyl-ethyl]sulfamoyl]phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxyl 1-[2-[[4-[[(1R)-2-methoxy-1-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)	2.51	4.23	-66.85	2	8	-1	125	425.527	9	↓ MOL2 SDF SMILES Flexibase

13253963

Analogs

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Popular Name: 1-[2-[[4-[[(1S)-2-methoxy-1-methyl-ethyl]sulfamoyl]phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxyl 1-[2-[[4-[[(1S)-2-methoxy-1-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)	2.51	4.3	-66.92	2	8	-1	125	425.527	9	↓ MOL2 SDF SMILES Flexibase

13253983

Analogs

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Popular Name: 1-[2-[[3-(diethylsulfamoyl)-4-ethoxy-phenyl]amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[[3-(diethylsulfamoyl)-4-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.55	8.03	-64.77	1	8	-1	116	453.581	10	↓ MOL2 SDF SMILES Flexibase

13253996

Analogs

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Popular Name: 1-[2-[(3-iodophenyl)amino]-2-oxo-ethyl]cycloheptane-1-carboxylic 1-[2-[(3-iodophenyl)amino]-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)	4.18	8.55	-59.69	1	4	-1	69	400.236	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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