ZINC 12

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ZINC Item

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40235647

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-ethyl-N-(m-tolyl)acetamide 2-(cyclopropylmethylamino)-N-eth…

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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)	2.47	8.45	-43.87	2	3	1	37	247.362	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.47	7.08	-8.57	1	3	0	32	246.354	6	↓ MOL2 SDF SMILES Flexibase

52890749

Analogs

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Popular Name: 2-[cyclopropylmethyl(propyl)amino]-N-(3-methylsulfanylphenyl)acetamide 2-[cyclopropylmethyl(propyl)amin…

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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	9.58	-38.75	2	3	1	34	293.456	8	↓ MOL2 SDF SMILES Flexibase

62657638

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(cyclopropylmethylamino)-N-[2-fluoro-5-(trifluoromethyl)phenyl]acetamide 2-(cyclopropylmethylamino)-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)	2.77	6.4	-45.58	3	3	1	46	291.268	6	↓ MOL2 SDF SMILES Flexibase

62824519

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(cyclopropylmethylamino)acetyl]amino]-5-iodo-benzoic 2-[[2-(cyclopropylmethylamino)ac…

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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)	2.89	7.24	-56.4	3	5	0	86	374.178	6	↓ MOL2 SDF SMILES Flexibase

62825391

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dibromo-2-[[2-(cyclopropylmethylamino)acetyl]amino]benzoic 3,5-dibromo-2-[[2-(cyclopropylme…

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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)	3.35	7.4	-52.15	3	5	0	86	406.074	6	↓ MOL2 SDF SMILES Flexibase

62826917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-2-[[2-(cyclopropylmethylamino)acetyl]amino]benzoic 3-bromo-2-[[2-(cyclopropylmethyl…

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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)	2.59	6.87	-52.62	3	5	0	86	327.178	6	↓ MOL2 SDF SMILES Flexibase

69236823

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methoxy-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(5-amino-2-methoxy-phenyl)-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)	1.82	5.08	-36.22	4	5	1	69	278.376	7	↓ MOL2 SDF SMILES Flexibase

69236829

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-fluoro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(3-amino-4-fluoro-phenyl)-2-[c…

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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)	2.33	5.78	-40.75	4	4	1	60	266.34	6	↓ MOL2 SDF SMILES Flexibase

69236833

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(3-aminophenyl)-2-[cyclopropyl…

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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)	1.81	5.69	-37.74	4	4	1	60	248.35	6	↓ MOL2 SDF SMILES Flexibase

69236837

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2,6-dichloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(4-amino-2,6-dichloro-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)	3.05	6.77	-34.92	4	4	1	60	317.24	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.87	5.93	-28.41	3	4	0	66	316.232	6	↓ MOL2 SDF SMILES Flexibase

69236839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-6-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(2-amino-6-methyl-phenyl)-2-[c…

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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)	2.60	6.71	-38.28	4	4	1	60	262.377	6	↓ MOL2 SDF SMILES Flexibase

69236857

Analogs

42562447
42562445

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(3-aminophenyl)-2-[cyclop…

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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)	1.77	5.75	-34.85	4	4	1	60	262.377	6	↓ MOL2 SDF SMILES Flexibase

69236858

Analogs

42562447
42562445

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(3-aminophenyl)-2-[cyclop…

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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)	1.77	5.89	-35.27	4	4	1	60	262.377	6	↓ MOL2 SDF SMILES Flexibase

69236860

Analogs

42562479
42562477

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-amino-4-chloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(2-amino-4-chloro-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)	2.81	6.54	-37.29	4	4	1	60	296.822	6	↓ MOL2 SDF SMILES Flexibase

69236861

Analogs

42562479
42562477

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-amino-4-chloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(2-amino-4-chloro-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)	2.81	6.74	-37.85	4	4	1	60	296.822	6	↓ MOL2 SDF SMILES Flexibase

69236863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-amino-4,6-dichloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(2-amino-4,6-dichloro-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)	3.42	7.06	-36.72	4	4	1	60	331.267	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.60	5.43	-25.37	3	4	0	66	330.259	6	↓ MOL2 SDF SMILES Flexibase

69236864

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-amino-4,6-dichloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(2-amino-4,6-dichloro-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)	3.42	7.18	-36.98	4	4	1	60	331.267	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.60	5.46	-26	3	4	0	66	330.259	6	↓ MOL2 SDF SMILES Flexibase

69236866

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methoxy-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(4-amino-2-methoxy-phenyl)-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)	1.82	5.1	-35.62	4	5	1	69	278.376	7	↓ MOL2 SDF SMILES Flexibase

69236867

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(2-aminophenyl)-2-[cyclopropyl…

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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	6.01	-38.07	4	4	1	60	248.35	6	↓ MOL2 SDF SMILES Flexibase

69236868

Analogs

42562555
42562553

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(5-amino-2-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(5-amino-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)	2.17	6.8	-35.31	4	4	1	60	276.404	6	↓ MOL2 SDF SMILES Flexibase

69236869

Analogs

42562555
42562553

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(5-amino-2-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(5-amino-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)	2.17	6.77	-35.57	4	4	1	60	276.404	6	↓ MOL2 SDF SMILES Flexibase

69236903

Analogs

42562475
42562473

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-amino-2-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(3-amino-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)	2.56	6.91	-35.58	4	4	1	60	276.404	6	↓ MOL2 SDF SMILES Flexibase

69236904

Analogs

42562475
42562473

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-amino-2-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(3-amino-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)	2.56	6.88	-35.76	4	4	1	60	276.404	6	↓ MOL2 SDF SMILES Flexibase

69236906

Analogs

42562495
42562493

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-amino-4-fluoro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(2-amino-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)	2.30	6.09	-38.12	4	4	1	60	280.367	6	↓ MOL2 SDF SMILES Flexibase

69236907

Analogs

42562495
42562493

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-amino-4-fluoro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(2-amino-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)	2.30	6.29	-38.66	4	4	1	60	280.367	6	↓ MOL2 SDF SMILES Flexibase

69236910

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(4-amino-2-methyl-phenyl)-2-[c…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	6.57	-37.61	4	4	1	60	262.377	6	↓ MOL2 SDF SMILES Flexibase

69236911

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-fluoro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(2-amino-4-fluoro-phenyl)-2-[c…

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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)	2.33	6.08	-41.17	4	4	1	60	266.34	6	↓ MOL2 SDF SMILES Flexibase

69236913

Analogs

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Popular Name: N-(2-amino-5-chloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(2-amino-5-chloro-phenyl)-2-[c…

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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	6.52	-40.11	4	4	1	60	282.795	6	↓ MOL2 SDF SMILES Flexibase

69236916

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2-methoxy-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(4-amino-2-methoxy-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)	1.78	5.14	-32.79	4	5	1	69	292.403	7	↓ MOL2 SDF SMILES Flexibase

69236917

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2-methoxy-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(4-amino-2-methoxy-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)	1.78	5.23	-33.19	4	5	1	69	292.403	7	↓ MOL2 SDF SMILES Flexibase

69236927

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]-N-methyl-acetamide N-(4-aminophenyl)-2-[cyclopropyl…

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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)	1.71	7.39	-37.48	3	4	1	51	262.377	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.71	5.34	-9.54	2	4	0	50	261.369	6	↓ MOL2 SDF SMILES Flexibase

69236928

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(3-amino-4-methyl-phenyl)-2-[c…

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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)	2.62	6.47	-37.66	4	4	1	60	262.377	6	↓ MOL2 SDF SMILES Flexibase

69236948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-amino-2-chloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(4-amino-2-chloro-phenyl)-2-[c…

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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)	2.44	6.32	-35.5	4	4	1	60	282.795	6	↓ MOL2 SDF SMILES Flexibase

69236950

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-amino-2-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(5-amino-2-methyl-phenyl)-2-[c…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.21	6.56	-38.08	4	4	1	60	262.377	6	↓ MOL2 SDF SMILES Flexibase

69236951

Analogs

42562513
42562511

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(4-amino-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)	2.17	6.58	-34.79	4	4	1	60	276.404	6	↓ MOL2 SDF SMILES Flexibase

69236952

Analogs

42562513
42562511

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(4-amino-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)	2.17	6.78	-35.12	4	4	1	60	276.404	6	↓ MOL2 SDF SMILES Flexibase

69236955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-2-methyl-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(3-amino-2-methyl-phenyl)-2-[c…

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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)	2.60	6.67	-38.2	4	4	1	60	262.377	6	↓ MOL2 SDF SMILES Flexibase

69236959

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2,6-dichloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(4-amino-2,6-dichloro-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)	3.01	6.91	-31.94	4	4	1	60	331.267	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.19	5.3	-26.55	3	4	0	66	330.259	6	↓ MOL2 SDF SMILES Flexibase

69236960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2,6-dichloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(4-amino-2,6-dichloro-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)	3.01	7.04	-32.26	4	4	1	60	331.267	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.19	5.33	-26.49	3	4	0	66	330.259	6	↓ MOL2 SDF SMILES Flexibase

69237022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-aminophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(4-aminophenyl)-2-[cyclopropyl…

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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)	1.84	5.69	-37.73	4	4	1	60	248.35	6	↓ MOL2 SDF SMILES Flexibase

69237031

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-5-fluoro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(2-amino-5-fluoro-phenyl)-2-[c…

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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)	2.33	6.08	-41.19	4	4	1	60	266.34	6	↓ MOL2 SDF SMILES Flexibase

69237069

Analogs

42562499
42562497

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(2-amino-5-chloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(2-amino-5-chloro-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)	2.81	6.75	-37.49	4	4	1	60	296.822	6	↓ MOL2 SDF SMILES Flexibase

69237070

Analogs

42562499
42562497

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(2-amino-5-chloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(2-amino-5-chloro-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)	2.81	6.64	-37.65	4	4	1	60	296.822	6	↓ MOL2 SDF SMILES Flexibase

69237071

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4,6-dichloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(2-amino-4,6-dichloro-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)	3.46	6.94	-39.09	4	4	1	60	317.24	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.27	6.21	-28.49	3	4	0	66	316.232	6	↓ MOL2 SDF SMILES Flexibase

69237074

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(2-amino-4-chloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(2-amino-4-chloro-phenyl)-2-[c…

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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	6.53	-40.36	4	4	1	60	282.795	6	↓ MOL2 SDF SMILES Flexibase

69237075

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-amino-4-chloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide N-(3-amino-4-chloro-phenyl)-2-[c…

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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	6.28	-39.68	4	4	1	60	282.795	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.67	5.44	-30.74	3	4	0	66	281.787	6	↓ MOL2 SDF SMILES Flexibase

69237076

Analogs

42562467
42562465

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(3-amino-4-fluoro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(3-amino-4-fluoro-phenyl)…

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Activity (Go SEA)

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)	2.30	5.85	-37.55	4	4	1	60	280.367	6	↓ MOL2 SDF SMILES Flexibase

69237077

Analogs

42562467
42562465

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(3-amino-4-fluoro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(3-amino-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)	2.30	5.92	-38.06	4	4	1	60	280.367	6	↓ MOL2 SDF SMILES Flexibase

69237116

Analogs

42562487
42562485

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-(4-amino-2-chloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2S)-N-(4-amino-2-chloro-phenyl)…

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Activity (Go SEA)

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)	2.40	6.35	-32.5	4	4	1	60	296.822	6	↓ MOL2 SDF SMILES Flexibase

69237117

Analogs

42562487
42562485

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-(4-amino-2-chloro-phenyl)-2-[cyclopropylmethyl(ethyl)amino]propanamide (2R)-N-(4-amino-2-chloro-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)	2.40	6.55	-33.09	4	4	1	60	296.822	6	↓ 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

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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', {
        "ring.id": "12312"        

    });
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