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ZINC Item

Suppliers, Protomers, & Similar Substances

13012683

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-chloro-5-methylsulfonyl-phenyl)-1-phenyl-cyclopropane-1-carboxamide N-(2-chloro-5-methylsulfonyl-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)	2.64	6.42	-17.2	1	4	0	63	349.839	4	↓ MOL2 SDF SMILES Flexibase

36965681

Analogs

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Popular Name: 3-[(1-phenylcyclopropanecarbonyl)amino]benzoic 3-[(1-phenylcyclopropanecarbonyl…

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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	8.84	-49.28	1	4	-1	69	280.303	4	↓ MOL2 SDF SMILES Flexibase

23019670

Analogs

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Popular Name: N,N-diethyl-3-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]benzamide N,N-diethyl-3-[[1-(4-fluoropheny…

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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)	3.02	10.02	-13.82	1	4	0	49	354.425	6	↓ MOL2 SDF SMILES Flexibase

23022792

Analogs

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Popular Name: N-[3-(butylsulfamoyl)phenyl]-1-(4-fluorophenyl)cyclopropane-1-carboxamide N-[3-(butylsulfamoyl)phenyl]-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)	3.81	7	-16.06	2	5	0	75	390.48	8	↓ MOL2 SDF SMILES Flexibase

69161651

Analogs

8406121
8406126

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Popular Name: N,N-diethyl-3-[(1-phenylcyclopropanecarbonyl)amino]benzamide N,N-diethyl-3-[(1-phenylcyclopro…

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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	9.87	-13.41	1	4	0	49	336.435	6	↓ MOL2 SDF SMILES Flexibase

69230657

Analogs

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Popular Name: N-ethyl-3-[(1-phenylcyclopropanecarbonyl)amino]benzamide N-ethyl-3-[(1-phenylcyclopropane…

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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)	2.70	7.49	-12.24	2	4	0	58	308.381	5	↓ MOL2 SDF SMILES Flexibase

55563298

Analogs

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Popular Name: 4-[[1-(4-fluorophenyl)cyclopropanecarbonyl]amino]-N-isobutyl-benzamide 4-[[1-(4-fluorophenyl)cyclopropa…

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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)	3.64	9.04	-16.82	2	4	0	58	354.425	6	↓ MOL2 SDF SMILES Flexibase

66960896

Analogs

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Popular Name: N-(2,4-difluoro-5-nitro-phenyl)-1-phenyl-cyclopropanecarboxamide N-(2,4-difluoro-5-nitro-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)	3.30	8.91	-9.34	1	5	0	75	318.279	4	↓ MOL2 SDF SMILES Flexibase

66960904

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-(2,4-difluoro-5-nitro-phenyl)cyclopropanecarboxamide 1-(4-chlorophenyl)-N-(2,4-difluo…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.98	9.43	-9.75	1	5	0	75	352.724	4	↓ MOL2 SDF SMILES Flexibase

55618525

Analogs

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Popular Name: N-(2-ethoxy-4-methyl-phenyl)-1-(4-fluorophenyl)cyclopropanecarboxamide N-(2-ethoxy-4-methyl-phenyl)-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)	4.13	9.45	-8.42	1	3	0	38	313.372	5	↓ MOL2 SDF SMILES Flexibase

56121483

Analogs

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Popular Name: N-[4-(2-amino-2-oxo-ethoxy)-2-methyl-phenyl]-1-(m-tolyl)cyclopropanecarboxamide N-[4-(2-amino-2-oxo-ethoxy)-2-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)	2.75	7.19	-15.97	3	5	0	81	338.407	6	↓ MOL2 SDF SMILES Flexibase

67240431

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-[4-(ureidomethyl)phenyl]cyclopropanecarboxamide 1-(3-chlorophenyl)-N-[4-(ureidom…

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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)	2.65	4.99	-12.08	4	5	0	84	343.814	5	↓ MOL2 SDF SMILES Flexibase

67240522

Analogs

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Popular Name: 1-(3-bromophenyl)-N-[4-(ureidomethyl)phenyl]cyclopropanecarboxamide 1-(3-bromophenyl)-N-[4-(ureidome…

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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)	2.78	5.1	-11.97	4	5	0	84	388.265	5	↓ MOL2 SDF SMILES Flexibase

67240776

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-chlorophenyl)-N-[4-(ureidomethyl)phenyl]cyclopropanecarboxamide 1-(4-chlorophenyl)-N-[4-(ureidom…

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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)	2.67	5.09	-14.77	4	5	0	84	343.814	5	↓ MOL2 SDF SMILES Flexibase

67240821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-phenyl-N-[4-(ureidomethyl)phenyl]cyclopropanecarboxamide 1-phenyl-N-[4-(ureidomethyl)phen…

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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)	1.99	4.48	-13.06	4	5	0	84	309.369	5	↓ MOL2 SDF SMILES Flexibase

67500820

Analogs

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Popular Name: N-[3-(butanoylamino)-2-methyl-phenyl]-1-(3-chlorophenyl)cyclopropanecarboxamide N-[3-(butanoylamino)-2-methyl-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)	4.78	10.23	-16.94	2	4	0	58	370.88	6	↓ MOL2 SDF SMILES Flexibase

70329801

Analogs

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Popular Name: N-(3-fluoro-4-hydroxy-phenyl)-1-phenyl-cyclopropanecarboxamide N-(3-fluoro-4-hydroxy-phenyl)-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)	3.03	5.48	-7.9	2	3	0	49	271.291	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.03	6.24	-50.17	1	3	-1	52	270.283	3	↓ MOL2 SDF SMILES Flexibase

70331018

Analogs

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Popular Name: N-[4-(hydroxymethyl)phenyl]-1-phenyl-cyclopropanecarboxamide N-[4-(hydroxymethyl)phenyl]-1-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)	2.50	5.59	-10.02	2	3	0	49	267.328	4	↓ MOL2 SDF SMILES Flexibase

70331352

Analogs

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Popular Name: 1-(4-fluorophenyl)-N-[4-(hydroxymethyl)phenyl]cyclopropanecarboxamide 1-(4-fluorophenyl)-N-[4-(hydroxy…

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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)	2.66	5.74	-11.59	2	3	0	49	285.318	4	↓ MOL2 SDF SMILES Flexibase

41512670

Analogs

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Popular Name: methyl methyl

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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)	4.10	9.71	-12.68	1	4	0	55	347.773	5	↓ MOL2 SDF SMILES Flexibase

41512690

Analogs

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Popular Name: 1-(4-fluorophenyl)-N-(3-hydroxyphenyl)cyclopropanecarboxamide 1-(4-fluorophenyl)-N-(3-hydroxyp…

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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	5.56	-10.27	2	3	0	49	271.291	3	↓ MOL2 SDF SMILES Flexibase

41512694

Analogs

40058823

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-N-(4-hydroxyphenyl)cyclopropanecarboxamide 1-(4-fluorophenyl)-N-(4-hydroxyp…

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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)	2.84	5.48	-9.52	2	3	0	49	271.291	3	↓ MOL2 SDF SMILES Flexibase

41512697

Analogs

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Popular Name: ethyl ethyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.85	9.99	-9.85	1	4	0	55	327.355	6	↓ MOL2 SDF SMILES Flexibase

41512709

Analogs

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Popular Name: 1-(4-fluorophenyl)-N-(4-hydroxy-2-methyl-phenyl)cyclopropanecarboxamide 1-(4-fluorophenyl)-N-(4-hydroxy-…

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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)	3.22	6.44	-10.84	2	3	0	49	285.318	3	↓ MOL2 SDF SMILES Flexibase

41512720

Analogs

44551791
49766232

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Popular Name: N-(5-acetamido-2-methyl-phenyl)-1-(4-fluorophenyl)cyclopropanecarboxamide N-(5-acetamido-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)	2.92	7.98	-14.58	2	4	0	58	326.371	4	↓ MOL2 SDF SMILES Flexibase

70331484

Analogs

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Popular Name: 1-(4-bromophenyl)-N-[4-(hydroxymethyl)phenyl]cyclopropanecarboxamide 1-(4-bromophenyl)-N-[4-(hydroxym…

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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)	3.31	6.31	-10.96	2	3	0	49	346.224	4	↓ MOL2 SDF SMILES Flexibase

41512803

Analogs

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Popular Name: N-(3-hydroxyphenyl)-1-(2-methoxyphenyl)cyclopropanecarboxamide N-(3-hydroxyphenyl)-1-(2-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)	2.67	4.91	-11.8	2	4	0	59	283.327	4	↓ MOL2 SDF SMILES Flexibase

41512807

Analogs

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Popular Name: N-(4-hydroxyphenyl)-1-(2-methoxyphenyl)cyclopropanecarboxamide N-(4-hydroxyphenyl)-1-(2-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)	2.69	4.91	-12.59	2	4	0	59	283.327	4	↓ MOL2 SDF SMILES Flexibase

41512831

Analogs

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Popular Name: N-(4-hydroxy-2-methyl-phenyl)-1-(2-methoxyphenyl)cyclopropanecarboxamide N-(4-hydroxy-2-methyl-phenyl)-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)	3.07	6.03	-11.73	2	4	0	59	297.354	4	↓ MOL2 SDF SMILES Flexibase

70331861

Analogs

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Popular Name: 1-(4-chlorophenyl)-N-[4-(hydroxymethyl)phenyl]cyclopropanecarboxamide 1-(4-chlorophenyl)-N-[4-(hydroxy…

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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	6.2	-11.06	2	3	0	49	301.773	4	↓ MOL2 SDF SMILES Flexibase

41513291

Analogs

36844805
36844807

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Popular Name: methyl methyl

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.94	9.25	-12.51	1	4	0	55	329.783	5	↓ MOL2 SDF SMILES Flexibase

41513311

Analogs

363674
363675

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Popular Name: N-(4-hydroxyphenyl)-1-phenyl-cyclopropanecarboxamide N-(4-hydroxyphenyl)-1-phenyl-cyc…

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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)	2.68	5.41	-8.96	2	3	0	49	253.301	3	↓ MOL2 SDF SMILES Flexibase

41513326

Analogs

4666611
4666612

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Popular Name: N-(4-hydroxy-2-methyl-phenyl)-1-phenyl-cyclopropanecarboxamide N-(4-hydroxy-2-methyl-phenyl)-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)	3.06	6.31	-10.2	2	3	0	49	267.328	3	↓ MOL2 SDF SMILES Flexibase

41513355

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-phenyl-cyclopropanecarboxamide 1-(3-chlorophenyl)-N-phenyl-cycl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.81	8.85	-10.4	1	2	0	29	271.747	3	↓ MOL2 SDF SMILES Flexibase

41513371

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-(2,5-dimethoxyphenyl)cyclopropanecarboxamide 1-(3-chlorophenyl)-N-(2,5-dimeth…

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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)	3.86	7.58	-12.78	1	4	0	48	331.799	5	↓ MOL2 SDF SMILES Flexibase

41513375

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-(2,4-dimethoxyphenyl)cyclopropanecarboxamide 1-(3-chlorophenyl)-N-(2,4-dimeth…

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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)	3.86	7.58	-10.08	1	4	0	48	331.799	5	↓ MOL2 SDF SMILES Flexibase

41513379

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-(3,4-dimethoxyphenyl)cyclopropanecarboxamide 1-(3-chlorophenyl)-N-(3,4-dimeth…

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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)	3.46	8.06	-13.13	1	4	0	48	331.799	5	↓ MOL2 SDF SMILES Flexibase

41513387

Analogs

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Popular Name: 4-[[1-(3-chlorophenyl)cyclopropanecarbonyl]amino]benzamide 4-[[1-(3-chlorophenyl)cyclopropa…

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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)	2.63	5.57	-14.04	3	4	0	72	314.772	4	↓ MOL2 SDF SMILES Flexibase

70332347

Analogs

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Popular Name: N-(3-hydroxy-2-methyl-phenyl)-1-phenyl-cyclopropanecarboxamide N-(3-hydroxy-2-methyl-phenyl)-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)	3.50	6.36	-9.64	2	3	0	49	267.328	3	↓ MOL2 SDF SMILES Flexibase

70332611

Analogs

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Popular Name: N-(3-hydroxy-4-methyl-phenyl)-1-phenyl-cyclopropanecarboxamide N-(3-hydroxy-4-methyl-phenyl)-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)	3.52	6.25	-9.46	2	3	0	49	267.328	3	↓ MOL2 SDF SMILES Flexibase

70333140

Analogs

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Popular Name: N-(2-fluoro-4-hydroxy-phenyl)-1-phenyl-cyclopropanecarboxamide N-(2-fluoro-4-hydroxy-phenyl)-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)	2.77	5.23	-7.17	2	3	0	49	271.291	3	↓ MOL2 SDF SMILES Flexibase

70333536

Analogs

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Popular Name: N-(4-chloro-3-hydroxy-phenyl)-1-phenyl-cyclopropanecarboxamide N-(4-chloro-3-hydroxy-phenyl)-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)	3.55	5.94	-8.04	2	3	0	49	287.746	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.55	6.7	-45.77	1	3	-1	52	286.738	3	↓ MOL2 SDF SMILES Flexibase

70333841

Analogs

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Popular Name: N-(3-chloro-4-hydroxy-phenyl)-1-phenyl-cyclopropanecarboxamide N-(3-chloro-4-hydroxy-phenyl)-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)	3.55	5.97	-7.4	2	3	0	49	287.746	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.55	6.73	-46.43	1	3	-1	52	286.738	3	↓ MOL2 SDF SMILES Flexibase

70334121

Analogs

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Popular Name: N-(2-chloro-4-hydroxy-phenyl)-1-phenyl-cyclopropanecarboxamide N-(2-chloro-4-hydroxy-phenyl)-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)	3.29	5.72	-6.97	2	3	0	49	287.746	3	↓ MOL2 SDF SMILES Flexibase

41526556

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-(3-hydroxyphenyl)cyclopropanecarboxamide 1-(3-chlorophenyl)-N-(3-hydroxyp…

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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)	3.31	5.93	-7.3	2	3	0	49	287.746	3	↓ MOL2 SDF SMILES Flexibase

41526557

Analogs

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Popular Name: 1-(3-chlorophenyl)-N-(4-hydroxyphenyl)cyclopropanecarboxamide 1-(3-chlorophenyl)-N-(4-hydroxyp…

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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	5.92	-7.86	2	3	0	49	287.746	3	↓ MOL2 SDF SMILES Flexibase

41526717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(2-chlorophenyl)-N-(3-hydroxyphenyl)cyclopropanecarboxamide 1-(2-chlorophenyl)-N-(3-hydroxyp…

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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)	3.29	5.95	-10.26	2	3	0	49	287.746	3	↓ MOL2 SDF SMILES Flexibase

41526718

Analogs

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Popular Name: 1-(2-chlorophenyl)-N-(4-hydroxyphenyl)cyclopropanecarboxamide 1-(2-chlorophenyl)-N-(4-hydroxyp…

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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)	3.31	5.94	-10.87	2	3	0	49	287.746	3	↓ MOL2 SDF SMILES Flexibase

49361840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-(4-fluorophenyl)-N-[2-(hydroxymethyl)phenyl]cyclopropanecarboxamide 1-(4-fluorophenyl)-N-[2-(hydroxy…

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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	6.05	-11.02	2	3	0	49	285.318	4	↓ MOL2 SDF SMILES Flexibase

49362047

Analogs

42272248
42272251

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(hydroxymethyl)phenyl]-1-phenyl-cyclopropanecarboxamide N-[2-(hydroxymethyl)phenyl]-1-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)	2.45	5.58	-9.4	2	3	0	49	267.328	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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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 = 35091 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

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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', {
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