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ZINC Item

Suppliers, Protomers, & Similar Substances

51482036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(3-bromophenyl)-N-[3-(hydroxymethyl)phenyl]cyclopropanecarboxamide (1R,2S)-2-(3-bromophenyl)-N-[3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	6.39	-11.36	2	3	0	49	346.224	4	↓ MOL2 SDF SMILES Flexibase

51482040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3-bromophenyl)-N-[3-(hydroxymethyl)phenyl]cyclopropanecarboxamide (1S,2S)-2-(3-bromophenyl)-N-[3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	6.48	-12.12	2	3	0	49	346.224	4	↓ MOL2 SDF SMILES Flexibase

51482043

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(3-bromophenyl)-N-[3-(hydroxymethyl)phenyl]cyclopropanecarboxamide (1R,2R)-2-(3-bromophenyl)-N-[3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	6.47	-13.44	2	3	0	49	346.224	4	↓ MOL2 SDF SMILES Flexibase

51482046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3-bromophenyl)-N-[3-(hydroxymethyl)phenyl]cyclopropanecarboxamide (1S,2R)-2-(3-bromophenyl)-N-[3-(…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	6.4	-10.35	2	3	0	49	346.224	4	↓ MOL2 SDF SMILES Flexibase

51482225

Analogs

34845149

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(3-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]cyclopropanecarboxamide (1R,2S)-2-(3-chlorophenyl)-N-[3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	6.28	-11.44	2	3	0	49	301.773	4	↓ MOL2 SDF SMILES Flexibase

51482229

Analogs

34845149

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]cyclopropanecarboxamide (1S,2S)-2-(3-chlorophenyl)-N-[3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	6.37	-12.08	2	3	0	49	301.773	4	↓ MOL2 SDF SMILES Flexibase

51482232

Analogs

34845149

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(3-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]cyclopropanecarboxamide (1R,2R)-2-(3-chlorophenyl)-N-[3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	6.36	-13.5	2	3	0	49	301.773	4	↓ MOL2 SDF SMILES Flexibase

51482235

Analogs

34845149

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3-chlorophenyl)-N-[3-(hydroxymethyl)phenyl]cyclopropanecarboxamide (1S,2R)-2-(3-chlorophenyl)-N-[3-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.29	6.3	-10.4	2	3	0	49	301.773	4	↓ MOL2 SDF SMILES Flexibase

22780259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(3-acetamidophenyl)-2-phenyl-cyclopropane-1-carboxamide (1S,2S)-N-(3-acetamidophenyl)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	7.46	-20.36	2	4	0	58	294.354	4	↓ MOL2 SDF SMILES Flexibase

22780265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(3-acetamidophenyl)-2-phenyl-cyclopropane-1-carboxamide (1R,2R)-N-(3-acetamidophenyl)-2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.52	7.44	-19.5	2	4	0	58	294.354	4	↓ MOL2 SDF SMILES Flexibase

23019920

Analogs

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Popular Name: (1R,2S)-2-(4-fluorophenyl)-N-(4-methanesulfonamidophenyl)cyclopropane-1-carboxamide (1R,2S)-2-(4-fluorophenyl)-N-(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)	2.72	5.3	-53.98	1	5	-1	77	347.391	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.72	5.22	-18.54	2	5	0	75	348.399	5	↓ MOL2 SDF SMILES Flexibase

23019924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(4-fluorophenyl)-N-(4-methanesulfonamidophenyl)cyclopropane-1-carboxamide (1S,2S)-2-(4-fluorophenyl)-N-(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)	2.72	5.39	-51.4	1	5	-1	77	347.391	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.72	5.23	-19.53	2	5	0	75	348.399	5	↓ MOL2 SDF SMILES Flexibase

23019926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(4-fluorophenyl)-N-(4-methanesulfonamidophenyl)cyclopropane-1-carboxamide (1R,2R)-2-(4-fluorophenyl)-N-(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)	2.72	5.38	-51.4	1	5	-1	77	347.391	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.72	5.3	-17.94	2	5	0	75	348.399	5	↓ MOL2 SDF SMILES Flexibase

23019930

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(4-fluorophenyl)-N-(4-methanesulfonamidophenyl)cyclopropane-1-carboxamide (1S,2R)-2-(4-fluorophenyl)-N-(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)	2.72	5.31	-54.32	1	5	-1	77	347.391	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.72	5.15	-20.39	2	5	0	75	348.399	5	↓ MOL2 SDF SMILES Flexibase

58315525

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(3-chlorophenyl)-N-(4-ureidophenyl)cyclopropanecarboxamide (1S,2R)-2-(3-chlorophenyl)-N-(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)	3.11	5.05	-19.41	4	5	0	84	329.787	4	↓ MOL2 SDF SMILES Flexibase

58315528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(3-chlorophenyl)-N-(4-ureidophenyl)cyclopropanecarboxamide (1S,2S)-2-(3-chlorophenyl)-N-(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)	3.11	5.14	-16.56	4	5	0	84	329.787	4	↓ MOL2 SDF SMILES Flexibase

58315531

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(3-chlorophenyl)-N-(4-ureidophenyl)cyclopropanecarboxamide (1R,2R)-2-(3-chlorophenyl)-N-(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)	3.11	5.14	-16.78	4	5	0	84	329.787	4	↓ MOL2 SDF SMILES Flexibase

58315534

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(3-chlorophenyl)-N-(4-ureidophenyl)cyclopropanecarboxamide (1R,2S)-2-(3-chlorophenyl)-N-(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)	3.11	5.06	-18.31	4	5	0	84	329.787	4	↓ MOL2 SDF SMILES Flexibase

58351745

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(2-fluorophenyl)-N-[2-(isopropylcarbamoylamino)phenyl]cyclopropanecarboxamide (1S,2S)-2-(2-fluorophenyl)-N-[2-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	8.07	-16.96	3	5	0	70	355.413	5	↓ MOL2 SDF SMILES Flexibase

2793756

Analogs

2793757
2793758
2793759

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chlorophenyl)cyclopropanecarboxamide (1R,2S)-N-[3-chloro-4-(difluorom…

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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)	5.22	1.05	-12.29	1	3	0	38	372.198	5	↓ MOL2 SDF SMILES Flexibase

2793757

Analogs

2793758
2793759
2793756

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chlorophenyl)cyclopropanecarboxamide (1R,2R)-N-[3-chloro-4-(difluorom…

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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)	5.22	1.1	-11.02	1	3	0	38	372.198	5	↓ MOL2 SDF SMILES Flexibase

2793758

Analogs

2793759
2793756
2793757

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chlorophenyl)cyclopropanecarboxamide (1S,2S)-N-[3-chloro-4-(difluorom…

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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)	5.22	1.11	-11.8	1	3	0	38	372.198	5	↓ MOL2 SDF SMILES Flexibase

2793759

Analogs

2793756
2793757

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[3-chloro-4-(difluoromethoxy)phenyl]-2-(4-chlorophenyl)cyclopropanecarboxamide (1S,2R)-N-[3-chloro-4-(difluorom…

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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)	5.22	1.06	-12.32	1	3	0	38	372.198	5	↓ MOL2 SDF SMILES Flexibase

66432102

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]cyclopropanecarboxamide (1R,2S)-N-[5-fluoro-2-(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)	4.26	9.13	-12.53	1	4	0	48	397.368	8	↓ MOL2 SDF SMILES Flexibase

66432103

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]cyclopropanecarboxamide (1S,2S)-N-[5-fluoro-2-(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)	4.26	9.21	-12.09	1	4	0	48	397.368	8	↓ MOL2 SDF SMILES Flexibase

66432104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]cyclopropanecarboxamide (1R,2R)-N-[5-fluoro-2-(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)	4.26	9.21	-11.98	1	4	0	48	397.368	8	↓ MOL2 SDF SMILES Flexibase

66432105

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[5-fluoro-2-(2-methoxyethoxy)phenyl]-2-[4-(trifluoromethyl)phenyl]cyclopropanecarboxamide (1S,2R)-N-[5-fluoro-2-(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)	4.26	9.13	-12.09	1	4	0	48	397.368	8	↓ MOL2 SDF SMILES Flexibase

69351497

Analogs

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Popular Name: (1R,2S)-N-(2-acetamido-4,5-difluoro-phenyl)-2-(3-fluorophenyl)cyclopropanecarboxamide (1R,2S)-N-(2-acetamido-4,5-diflu…

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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)	2.86	7.86	-17.59	2	4	0	58	348.324	4	↓ MOL2 SDF SMILES Flexibase

69351498

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(2-acetamido-4,5-difluoro-phenyl)-2-(3-fluorophenyl)cyclopropanecarboxamide (1S,2S)-N-(2-acetamido-4,5-diflu…

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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)	2.86	7.94	-18.71	2	4	0	58	348.324	4	↓ MOL2 SDF SMILES Flexibase

69351499

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(2-acetamido-4,5-difluoro-phenyl)-2-(3-fluorophenyl)cyclopropanecarboxamide (1R,2R)-N-(2-acetamido-4,5-diflu…

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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)	2.86	7.94	-18.07	2	4	0	58	348.324	4	↓ MOL2 SDF SMILES Flexibase

69351500

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-(2-acetamido-4,5-difluoro-phenyl)-2-(3-fluorophenyl)cyclopropanecarboxamide (1S,2R)-N-(2-acetamido-4,5-diflu…

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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)	2.86	7.86	-17.9	2	4	0	58	348.324	4	↓ MOL2 SDF SMILES Flexibase

69487985

Analogs

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Popular Name: (1R,2S)-N-[3-(dimethylaminomethyl)phenyl]-2-(2-methoxyphenyl)cyclopropanecarboxamide (1R,2S)-N-[3-(dimethylaminomethy…

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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	9.69	-44.2	2	4	1	43	325.432	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.11	7.22	-9.12	1	4	0	42	324.424	6	↓ MOL2 SDF SMILES Flexibase

69487986

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[3-(dimethylaminomethyl)phenyl]-2-(2-methoxyphenyl)cyclopropanecarboxamide (1S,2S)-N-[3-(dimethylaminomethy…

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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	9.78	-47.75	2	4	1	43	325.432	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.11	7.3	-11.51	1	4	0	42	324.424	6	↓ MOL2 SDF SMILES Flexibase

69487987

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[3-(dimethylaminomethyl)phenyl]-2-(2-methoxyphenyl)cyclopropanecarboxamide (1R,2R)-N-[3-(dimethylaminomethy…

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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	9.77	-46.71	2	4	1	43	325.432	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.11	7.3	-11.66	1	4	0	42	324.424	6	↓ MOL2 SDF SMILES Flexibase

69487988

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[3-(dimethylaminomethyl)phenyl]-2-(2-methoxyphenyl)cyclopropanecarboxamide (1S,2R)-N-[3-(dimethylaminomethy…

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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	9.7	-44.82	2	4	1	43	325.432	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.11	7.24	-8.88	1	4	0	42	324.424	6	↓ MOL2 SDF SMILES Flexibase

69488698

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[2-(methanesulfonamido)phenyl]-2-(m-tolyl)cyclopropanecarboxamide (1S,2R)-N-[2-(methanesulfonamido…

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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)	2.93	6.05	-43.92	1	5	-1	77	343.428	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.93	6.05	-14.74	2	5	0	75	344.436	5	↓ MOL2 SDF SMILES Flexibase

69488701

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[2-(methanesulfonamido)phenyl]-2-(m-tolyl)cyclopropanecarboxamide (1S,2S)-N-[2-(methanesulfonamido…

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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)	2.93	6.11	-43.85	1	5	-1	77	343.428	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.93	6.13	-14.86	2	5	0	75	344.436	5	↓ MOL2 SDF SMILES Flexibase

69488704

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[2-(methanesulfonamido)phenyl]-2-(m-tolyl)cyclopropanecarboxamide (1R,2R)-N-[2-(methanesulfonamido…

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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)	2.93	6.11	-43.23	1	5	-1	77	343.428	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.93	6.13	-14.6	2	5	0	75	344.436	5	↓ MOL2 SDF SMILES Flexibase

69488708

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[2-(methanesulfonamido)phenyl]-2-(m-tolyl)cyclopropanecarboxamide (1R,2S)-N-[2-(methanesulfonamido…

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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)	2.93	6.03	-43.98	1	5	-1	77	343.428	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.93	6.05	-14.65	2	5	0	75	344.436	5	↓ MOL2 SDF SMILES Flexibase

69557352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-(m-tolyl)-N-[4-(sulfamoylmethyl)phenyl]cyclopropanecarboxamide (1S,2R)-2-(m-tolyl)-N-[4-(sulfam…

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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	4.78	-18.79	3	5	0	89	344.436	5	↓ MOL2 SDF SMILES Flexibase

69557356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-(m-tolyl)-N-[4-(sulfamoylmethyl)phenyl]cyclopropanecarboxamide (1S,2S)-2-(m-tolyl)-N-[4-(sulfam…

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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	4.87	-20.27	3	5	0	89	344.436	5	↓ MOL2 SDF SMILES Flexibase

69557357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-(m-tolyl)-N-[4-(sulfamoylmethyl)phenyl]cyclopropanecarboxamide (1R,2R)-2-(m-tolyl)-N-[4-(sulfam…

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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	4.87	-20.11	3	5	0	89	344.436	5	↓ MOL2 SDF SMILES Flexibase

69557360

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-(m-tolyl)-N-[4-(sulfamoylmethyl)phenyl]cyclopropanecarboxamide (1R,2S)-2-(m-tolyl)-N-[4-(sulfam…

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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	4.79	-20.12	3	5	0	89	344.436	5	↓ MOL2 SDF SMILES Flexibase

69565485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-[4-(3-amino-3-oxo-propoxy)phenyl]-2-(m-tolyl)cyclopropanecarboxamide (1S,2R)-N-[4-(3-amino-3-oxo-prop…

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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)	2.81	6.21	-16.21	3	5	0	81	338.407	7	↓ MOL2 SDF SMILES Flexibase

69565488

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[4-(3-amino-3-oxo-propoxy)phenyl]-2-(m-tolyl)cyclopropanecarboxamide (1S,2S)-N-[4-(3-amino-3-oxo-prop…

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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)	2.81	6.3	-16.04	3	5	0	81	338.407	7	↓ MOL2 SDF SMILES Flexibase

69565493

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-[4-(3-amino-3-oxo-propoxy)phenyl]-2-(m-tolyl)cyclopropanecarboxamide (1R,2R)-N-[4-(3-amino-3-oxo-prop…

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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)	2.81	6.3	-16.21	3	5	0	81	338.407	7	↓ MOL2 SDF SMILES Flexibase

69565495

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[4-(3-amino-3-oxo-propoxy)phenyl]-2-(m-tolyl)cyclopropanecarboxamide (1R,2S)-N-[4-(3-amino-3-oxo-prop…

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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)	2.81	6.22	-16.2	3	5	0	81	338.407	7	↓ MOL2 SDF SMILES Flexibase

69697335

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-N-(2-methyl-5-methylsulfonyl-phenyl)-2-(m-tolyl)cyclopropanecarboxamide (1S,2R)-N-(2-methyl-5-methylsulf…

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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	7.51	-17.33	1	4	0	63	343.448	4	↓ MOL2 SDF SMILES Flexibase

69697337

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-(2-methyl-5-methylsulfonyl-phenyl)-2-(m-tolyl)cyclopropanecarboxamide (1S,2S)-N-(2-methyl-5-methylsulf…

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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	7.59	-17.62	1	4	0	63	343.448	4	↓ MOL2 SDF SMILES Flexibase

69697339

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-N-(2-methyl-5-methylsulfonyl-phenyl)-2-(m-tolyl)cyclopropanecarboxamide (1R,2R)-N-(2-methyl-5-methylsulf…

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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	7.59	-17.02	1	4	0	63	343.448	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 18970
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 = 18970 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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