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ZINC Item

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40234828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2R)-2-[ethyl(m-tolyl)carbamoyl]cyclopropanecarboxylic (1S,2R)-2-[ethyl(m-tolyl)carbamo…

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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	8.74	-61.21	0	4	-1	60	246.286	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.51	7.28	-15.42	1	4	0	58	247.294	4	↓ MOL2 SDF SMILES Flexibase

40234829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-[ethyl(m-tolyl)carbamoyl]cyclopropanecarboxylic (1S,2S)-2-[ethyl(m-tolyl)carbamo…

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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	8.82	-49.35	0	4	-1	60	246.286	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.51	6.82	-10.08	1	4	0	58	247.294	4	↓ MOL2 SDF SMILES Flexibase

40234831

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2R)-2-[ethyl(m-tolyl)carbamoyl]cyclopropanecarboxylic (1R,2R)-2-[ethyl(m-tolyl)carbamo…

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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	8.81	-50.42	0	4	-1	60	246.286	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.51	6.82	-10.48	1	4	0	58	247.294	4	↓ MOL2 SDF SMILES Flexibase

40234833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-2-[ethyl(m-tolyl)carbamoyl]cyclopropanecarboxylic (1R,2S)-2-[ethyl(m-tolyl)carbamo…

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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	8.73	-58.57	0	4	-1	60	246.286	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.51	7.48	-15.59	1	4	0	58	247.294	4	↓ MOL2 SDF SMILES Flexibase

30831738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: cyclopropanecarboxamide, N-[2-methyl-5-[[[(1-oxopropyl)amino]thioxomethyl]amino]phenyl]- cyclopropanecarboxamide, N-[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)	1.97	6.55	-29.48	3	5	0	70	305.403	6	↓ MOL2 SDF SMILES Flexibase

50664177

Analogs

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Popular Name: 4,5-dimethoxy-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]ben 4,5-dimethoxy-2-[[(1S,2R)-2-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)	1.13	3.48	-12.52	3	8	0	106	373.409	8	↓ MOL2 SDF SMILES Flexibase

50664179

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]ben 4,5-dimethoxy-2-[[(1S,2S)-2-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)	1.13	3.43	-13	3	8	0	106	373.409	8	↓ MOL2 SDF SMILES Flexibase

50664180

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]ben 4,5-dimethoxy-2-[[(1R,2R)-2-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)	1.13	3.49	-13.2	3	8	0	106	373.409	8	↓ MOL2 SDF SMILES Flexibase

50664182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4,5-dimethoxy-2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]ben 4,5-dimethoxy-2-[[(1R,2S)-2-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)	1.13	3.54	-12.75	3	8	0	106	373.409	8	↓ MOL2 SDF SMILES Flexibase

50664434

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamid 5-fluoro-2-[[(1S,2R)-2-methylcyc…

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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)	1.65	4.3	-9.79	3	6	0	87	331.347	6	↓ MOL2 SDF SMILES Flexibase

50664436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamid 5-fluoro-2-[[(1S,2S)-2-methylcyc…

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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)	1.65	4.25	-10.2	3	6	0	87	331.347	6	↓ MOL2 SDF SMILES Flexibase

50664439

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamid 5-fluoro-2-[[(1R,2R)-2-methylcyc…

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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)	1.65	4.25	-10.22	3	6	0	87	331.347	6	↓ MOL2 SDF SMILES Flexibase

50664441

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-fluoro-2-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[2-oxo-2-(prop-2-ynylamino)ethyl]benzamid 5-fluoro-2-[[(1R,2S)-2-methylcyc…

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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)	1.65	4.31	-9.73	3	6	0	87	331.347	6	↓ MOL2 SDF SMILES Flexibase

46128771

Analogs

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Popular Name: [3-(cyclopropanecarbonylamino)phenyl] [3-(cyclopropanecarbonylamino)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)	1.29	5.94	-13.34	1	5	0	65	249.266	6	↓ MOL2 SDF SMILES Flexibase

46128797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(cyclopropanecarbonylamino)phenyl] [3-(cyclopropanecarbonylamino)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)	2.72	8.65	-11.29	1	4	0	55	271.316	6	↓ MOL2 SDF SMILES Flexibase

46128801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(cyclopropanecarbonylamino)phenyl] [3-(cyclopropanecarbonylamino)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)	2.72	8.73	-11.45	1	4	0	55	271.316	6	↓ MOL2 SDF SMILES Flexibase

46128805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(cyclopropanecarbonylamino)phenyl] [3-(cyclopropanecarbonylamino)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)	2.72	8.9	-10.79	1	4	0	55	271.316	6	↓ MOL2 SDF SMILES Flexibase

46128809

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(cyclopropanecarbonylamino)phenyl] [3-(cyclopropanecarbonylamino)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)	2.72	8.99	-10.76	1	4	0	55	271.316	6	↓ MOL2 SDF SMILES Flexibase

46128813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [3-(cyclopropanecarbonylamino)phenyl] [3-(cyclopropanecarbonylamino)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)	2.98	8.12	-11.05	1	4	0	55	259.305	5	↓ MOL2 SDF SMILES Flexibase

46672212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(1R)-1-methylpropyl]benzamide 3-[[(1R,2S)-2-methylcyclopropane…

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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)	2.97	6.58	-17.6	2	4	0	58	274.364	5	↓ MOL2 SDF SMILES Flexibase

46672214

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(1S)-1-methylpropyl]benzamide 3-[[(1R,2S)-2-methylcyclopropane…

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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)	2.97	6.58	-17.67	2	4	0	58	274.364	5	↓ MOL2 SDF SMILES Flexibase

46672215

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(1R)-1-methylpropyl]benzamide 3-[[(1S,2S)-2-methylcyclopropane…

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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)	2.97	6.54	-18.62	2	4	0	58	274.364	5	↓ MOL2 SDF SMILES Flexibase

46672217

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-[(1S)-1-methylpropyl]benzamide 3-[[(1S,2S)-2-methylcyclopropane…

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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)	2.97	6.54	-18.67	2	4	0	58	274.364	5	↓ MOL2 SDF SMILES Flexibase

35634958

Analogs

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Popular Name: N-[4-[(1S)-1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide N-[4-[(1S)-1-(methylamino)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)	2.10	5.49	-40.91	3	3	1	46	219.308	4	↓ MOL2 SDF SMILES Flexibase

35634959

Analogs

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Popular Name: N-[4-[(1R)-1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide N-[4-[(1R)-1-(methylamino)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)	2.10	5.49	-41.94	3	3	1	46	219.308	4	↓ MOL2 SDF SMILES Flexibase

35634998

Analogs

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Popular Name: (1S,2R)-2-methyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide (1S,2R)-2-methyl-N-[4-[(1R)-1-(m…

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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	6.22	-40.73	3	3	1	46	233.335	4	↓ MOL2 SDF SMILES Flexibase

35634999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-2-methyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide (1S,2S)-2-methyl-N-[4-[(1R)-1-(m…

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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	6.18	-41.61	3	3	1	46	233.335	4	↓ MOL2 SDF SMILES Flexibase

35635000

Analogs

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Popular Name: (1R,2R)-2-methyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide (1R,2R)-2-methyl-N-[4-[(1R)-1-(m…

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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	6.17	-41.67	3	3	1	46	233.335	4	↓ MOL2 SDF SMILES Flexibase

35635001

Analogs

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Popular Name: (1R,2S)-2-methyl-N-[4-[(1R)-1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide (1R,2S)-2-methyl-N-[4-[(1R)-1-(m…

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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	6.22	-42.49	3	3	1	46	233.335	4	↓ MOL2 SDF SMILES Flexibase

35635086

Analogs

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Popular Name: N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]cyclopropanecarboxamide N-[4-[(1S)-1-(ethylamino)ethyl]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)	2.48	6.34	-39.81	3	3	1	46	233.335	5	↓ MOL2 SDF SMILES Flexibase

35635087

Analogs

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Popular Name: N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]cyclopropanecarboxamide N-[4-[(1R)-1-(ethylamino)ethyl]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)	2.48	6.33	-40.66	3	3	1	46	233.335	5	↓ MOL2 SDF SMILES Flexibase

35635114

Analogs

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Popular Name: (1R,2S)-N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[4-[(1S)-1-(ethylamino…

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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)	3.09	7.07	-38.79	3	3	1	46	247.362	5	↓ MOL2 SDF SMILES Flexibase

35635115

Analogs

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Popular Name: (1R,2S)-N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[4-[(1R)-1-(ethylamino…

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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)	3.09	7.06	-39.66	3	3	1	46	247.362	5	↓ MOL2 SDF SMILES Flexibase

35635116

Analogs

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Popular Name: (1S,2S)-N-[4-[(1S)-1-(ethylamino)ethyl]phenyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[4-[(1S)-1-(ethylamino…

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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)	3.09	7.03	-40.37	3	3	1	46	247.362	5	↓ MOL2 SDF SMILES Flexibase

35635117

Analogs

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Popular Name: (1S,2S)-N-[4-[(1R)-1-(ethylamino)ethyl]phenyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[4-[(1R)-1-(ethylamino…

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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)	3.09	7.02	-39.56	3	3	1	46	247.362	5	↓ MOL2 SDF SMILES Flexibase

35635172

Analogs

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Popular Name: N-[4-[(1S)-1-(propylamino)ethyl]phenyl]cyclopropanecarboxamide N-[4-[(1S)-1-(propylamino)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)	2.98	7.11	-40.46	3	3	1	46	247.362	6	↓ MOL2 SDF SMILES Flexibase

35635173

Analogs

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Popular Name: N-[4-[(1R)-1-(propylamino)ethyl]phenyl]cyclopropanecarboxamide N-[4-[(1R)-1-(propylamino)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)	2.98	7.1	-41.47	3	3	1	46	247.362	6	↓ MOL2 SDF SMILES Flexibase

35635192

Analogs

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Popular Name: (1R,2S)-2-methyl-N-[4-[(1S)-1-(propylamino)ethyl]phenyl]cyclopropanecarboxamide (1R,2S)-2-methyl-N-[4-[(1S)-1-(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)	3.59	7.82	-39.43	3	3	1	46	261.389	6	↓ MOL2 SDF SMILES Flexibase

35635193

Analogs

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Popular Name: (1R,2S)-2-methyl-N-[4-[(1R)-1-(propylamino)ethyl]phenyl]cyclopropanecarboxamide (1R,2S)-2-methyl-N-[4-[(1R)-1-(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)	3.59	7.82	-40.39	3	3	1	46	261.389	6	↓ MOL2 SDF SMILES Flexibase

35635194

Analogs

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Popular Name: (1S,2S)-2-methyl-N-[4-[(1S)-1-(propylamino)ethyl]phenyl]cyclopropanecarboxamide (1S,2S)-2-methyl-N-[4-[(1S)-1-(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)	3.59	7.79	-41.13	3	3	1	46	261.389	6	↓ MOL2 SDF SMILES Flexibase

35635195

Analogs

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Popular Name: (1S,2S)-2-methyl-N-[4-[(1R)-1-(propylamino)ethyl]phenyl]cyclopropanecarboxamide (1S,2S)-2-methyl-N-[4-[(1R)-1-(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)	3.59	7.77	-40.23	3	3	1	46	261.389	6	↓ MOL2 SDF SMILES Flexibase

35635342

Analogs

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Popular Name: (1S,2R)-2-methyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide (1S,2R)-2-methyl-N-[3-[(1R)-1-(m…

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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	6.23	-44.73	3	3	1	46	233.335	4	↓ MOL2 SDF SMILES Flexibase

35635343

Analogs

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Popular Name: (1S,2S)-2-methyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide (1S,2S)-2-methyl-N-[3-[(1R)-1-(m…

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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	6.17	-45.85	3	3	1	46	233.335	4	↓ MOL2 SDF SMILES Flexibase

35635344

Analogs

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Popular Name: (1R,2R)-2-methyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide (1R,2R)-2-methyl-N-[3-[(1R)-1-(m…

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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	6.17	-45.83	3	3	1	46	233.335	4	↓ MOL2 SDF SMILES Flexibase

35635345

Analogs

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Popular Name: (1R,2S)-2-methyl-N-[3-[(1R)-1-(methylamino)ethyl]phenyl]cyclopropanecarboxamide (1R,2S)-2-methyl-N-[3-[(1R)-1-(m…

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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	6.22	-44.76	3	3	1	46	233.335	4	↓ MOL2 SDF SMILES Flexibase

35635428

Analogs

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Popular Name: N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]cyclopropanecarboxamide N-[3-[(1S)-1-(ethylamino)ethyl]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)	2.46	6.35	-43.72	3	3	1	46	233.335	5	↓ MOL2 SDF SMILES Flexibase

35635429

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[3-[(1R)-1-(ethylamino)ethyl]phenyl]cyclopropanecarboxamide N-[3-[(1R)-1-(ethylamino)ethyl]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)	2.46	6.33	-44.55	3	3	1	46	233.335	5	↓ MOL2 SDF SMILES Flexibase

35635456

Analogs

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Popular Name: (1R,2S)-N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[3-[(1S)-1-(ethylamino…

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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	7.07	-37.41	3	3	1	46	247.362	5	↓ MOL2 SDF SMILES Flexibase

35635457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R,2S)-N-[3-[(1R)-1-(ethylamino)ethyl]phenyl]-2-methyl-cyclopropanecarboxamide (1R,2S)-N-[3-[(1R)-1-(ethylamino…

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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	7.06	-43.35	3	3	1	46	247.362	5	↓ MOL2 SDF SMILES Flexibase

35635458

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S,2S)-N-[3-[(1S)-1-(ethylamino)ethyl]phenyl]-2-methyl-cyclopropanecarboxamide (1S,2S)-N-[3-[(1S)-1-(ethylamino…

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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	7.03	-44.46	3	3	1	46	247.362	5	↓ 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 = 10928 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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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', {
        "ring.id": "10928"        

    });
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