ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

36127551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-benzamide 4-(aminomethyl)-N-[2-(cyclopropy…

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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)	0.06	3.01	-61.37	4	5	1	77	262.333	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.06	2.61	-15.62	3	5	0	75	261.325	5	↓ MOL2 SDF SMILES Flexibase

36127552

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(aminomethyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-benzamide 3-(aminomethyl)-N-[2-(cyclopropy…

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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)	0.04	3	-53.52	4	5	1	77	262.333	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.04	2.6	-15.91	3	5	0	75	261.325	5	↓ MOL2 SDF SMILES Flexibase

36129451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]benzamide 3-bromo-N-[2-[cyclopropyl(2-hydr…

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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)	1.00	3.16	-8.26	2	5	0	70	341.205	6	↓ MOL2 SDF SMILES Flexibase

36129459

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-chloro-N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]benzamide 4-chloro-N-[2-[cyclopropyl(2-hyd…

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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)	0.89	3.05	-7.92	2	5	0	70	296.754	6	↓ MOL2 SDF SMILES Flexibase

36129583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-methyl-2-oxo-ethyl]benzamide N-[(1S)-2-[cyclopropyl(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)	0.55	2.86	-9.99	2	5	0	70	276.336	6	↓ MOL2 SDF SMILES Flexibase

36129585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-2-[cyclopropyl(2-hydroxyethyl)amino]-1-methyl-2-oxo-ethyl]benzamide N-[(1R)-2-[cyclopropyl(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)	0.55	2.95	-10.18	2	5	0	70	276.336	6	↓ MOL2 SDF SMILES Flexibase

36129725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-chloro-N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]benzamide 3-chloro-N-[2-[cyclopropyl(2-hyd…

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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)	0.87	3.05	-8.33	2	5	0	70	296.754	6	↓ MOL2 SDF SMILES Flexibase

36129727

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]-3-fluoro-benzamide N-[2-[cyclopropyl(2-hydroxyethyl…

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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)	0.36	2.6	-8.72	2	5	0	70	280.299	6	↓ MOL2 SDF SMILES Flexibase

36129729

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-bromo-N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]benzamide 2-bromo-N-[2-[cyclopropyl(2-hydr…

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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)	0.98	3.16	-9.82	2	5	0	70	341.205	6	↓ MOL2 SDF SMILES Flexibase

36129762

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]benzamide N-[2-[cyclopropyl(2-hydroxyethyl…

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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)	0.22	2.53	-9.25	2	5	0	70	262.309	6	↓ MOL2 SDF SMILES Flexibase

36129944

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-bromo-N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]benzamide 4-bromo-N-[2-[cyclopropyl(2-hydr…

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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)	1.02	3.16	-7.87	2	5	0	70	341.205	6	↓ MOL2 SDF SMILES Flexibase

36130264

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]-4-methyl-benzamide N-[2-[cyclopropyl(2-hydroxyethyl…

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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)	0.66	3.21	-9.07	2	5	0	70	276.336	6	↓ MOL2 SDF SMILES Flexibase

36130265

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]-2-fluoro-benzamide N-[2-[cyclopropyl(2-hydroxyethyl…

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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)	0.33	2.61	-12.18	2	5	0	70	280.299	6	↓ MOL2 SDF SMILES Flexibase

36130267

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-chloro-N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]benzamide 2-chloro-N-[2-[cyclopropyl(2-hyd…

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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)	0.85	3.05	-10.11	2	5	0	70	296.754	6	↓ MOL2 SDF SMILES Flexibase

36130269

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]-3-methyl-benzamide N-[2-[cyclopropyl(2-hydroxyethyl…

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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)	0.64	3.2	-9.25	2	5	0	70	276.336	6	↓ MOL2 SDF SMILES Flexibase

36130616

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]-N-methyl-benzamide N-[2-[cyclopropyl(2-hydroxyethyl…

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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)	-0.01	4.5	-15.97	1	5	0	61	276.336	6	↓ MOL2 SDF SMILES Flexibase

36132425

Analogs

37827608
37827916
37827960

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(cyclopropylamino)-2-oxo-ethyl]-methyl-carbamoyl]benzoic 2-[[2-(cyclopropylamino)-2-oxo-e…

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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)	0.40	6.47	-77.53	1	6	-1	90	275.284	5	↓ MOL2 SDF SMILES Flexibase

36133794

Analogs

37828516
37832663
37834150

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(chloromethyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-benzamide 4-(chloromethyl)-N-[2-(cycloprop…

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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)	1.45	6.26	-16.51	1	4	0	49	280.755	5	↓ MOL2 SDF SMILES Flexibase

36133795

Analogs

37828517
37832665
37832734
37832894
37834152

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(chloromethyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-benzamide 3-(chloromethyl)-N-[2-(cycloprop…

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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)	1.43	6.25	-16.99	1	4	0	49	280.755	5	↓ MOL2 SDF SMILES Flexibase

36134623

Analogs

37799309
37817957
37824336

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-5-fluoro-N-methyl-benzamide 2-amino-N-[2-(cyclopropylamino)-…

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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)	0.45	3.16	-12.49	3	5	0	75	265.288	4	↓ MOL2 SDF SMILES Flexibase

36136856

Analogs

37809522
37814623
44624761

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-[cyclopropyl(2-hydroxyethyl)amino]-2-oxo-ethyl]benzamide 4-amino-N-[2-[cyclopropyl(2-hydr…

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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)	-0.71	0.41	-10.16	4	6	0	96	277.324	6	↓ MOL2 SDF SMILES Flexibase

53662172

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]benzamide 3-(2-aminoethyl)-N-[2-(cycloprop…

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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)	0.06	1.79	-51.47	5	5	1	86	262.333	6	↓ MOL2 SDF SMILES Flexibase

53662194

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-aminoethyl)-N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-benzamide 3-(2-aminoethyl)-N-[2-(cycloprop…

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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)	-0.16	3.78	-54.72	4	5	1	77	276.36	6	↓ MOL2 SDF SMILES Flexibase

54414802

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-4-nitro-benzamide 3-amino-N-[2-(cyclopropylamino)-…

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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)	0.47	1.76	-10.6	4	8	0	130	278.268	5	↓ MOL2 SDF SMILES Flexibase

54414803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-(methylamino)-4-nitro-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.85	2.72	-10.69	3	8	0	116	292.295	6	↓ MOL2 SDF SMILES Flexibase

54415994

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-hydrazino-4-nitro-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.23	1.47	-10.9	5	9	0	142	293.283	6	↓ MOL2 SDF SMILES Flexibase

54416249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-fluoro-4-nitro-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.15	3.72	-11.55	2	7	0	104	281.243	5	↓ MOL2 SDF SMILES Flexibase

54416334

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-fluoro-N-methyl-4-nitro-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	5.71	-19.81	1	7	0	95	295.27	5	↓ MOL2 SDF SMILES Flexibase

37080066

Analogs

37806708
46061434
48624246
48624249
49340960

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-[cyclopropyl(ethyl)amino]-2-oxo-ethyl]benzamide 4-amino-N-[2-[cyclopropyl(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)	0.30	3.25	-10.08	3	5	0	75	261.325	5	↓ MOL2 SDF SMILES Flexibase

37081186

Analogs

37806708
46061434
48624246
48624249
49340960

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-[cyclopropyl(methyl)amino]-2-oxo-ethyl]benzamide 4-amino-N-[2-[cyclopropyl(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)	-0.08	2.52	-10.43	3	5	0	75	247.298	4	↓ MOL2 SDF SMILES Flexibase

37097385

Analogs

37806708
46061434
48624246
48624249
49340960

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-N-[2-[cyclopropyl(propyl)amino]-2-oxo-ethyl]benzamide 4-amino-N-[2-[cyclopropyl(propyl…

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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)	0.80	4.1	-9.74	3	5	0	75	275.352	6	↓ MOL2 SDF SMILES Flexibase

14241170

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-4-(trifluoromethyl)benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.77	5.96	-14.43	1	4	0	49	300.28	5	↓ MOL2 SDF SMILES Flexibase

14247156

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-(diethylsulfamoyl)benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.15	2.68	-15.63	2	7	0	96	353.444	8	↓ MOL2 SDF SMILES Flexibase

14251340

Analogs

36782124

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3,4,5-trimethoxy-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.74	2.13	-11.58	2	7	0	86	308.334	7	↓ MOL2 SDF SMILES Flexibase

62819526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-2-(isopropylamino)benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.25	3.71	-8.38	3	5	0	70	275.352	6	↓ MOL2 SDF SMILES Flexibase

62819545

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-2-(ethylamino)-N-methyl-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	4.81	-13.67	2	5	0	61	275.352	6	↓ MOL2 SDF SMILES Flexibase

62819546

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-N-methyl-2-(propylamino)benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.56	5.57	-13.5	2	5	0	61	289.379	7	↓ MOL2 SDF SMILES Flexibase

62819547

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-2-(isopropylamino)-N-methyl-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.03	5.47	-13.49	2	5	0	61	289.379	6	↓ MOL2 SDF SMILES Flexibase

62822509

Analogs

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Popular Name: 2-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-4-fluoro-N-methyl-benzamide 2-amino-N-[2-(cyclopropylamino)-…

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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)	0.45	3.16	-13.17	3	5	0	75	265.288	4	↓ MOL2 SDF SMILES Flexibase

63005558

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-4-(ethylamino)-3,5-difluoro-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.52	2.65	-8.19	3	5	0	70	297.305	6	↓ MOL2 SDF SMILES Flexibase

63005559

Analogs

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Popular Name: 4-amino-N-[2-(cyclopropylamino)-2-oxo-ethyl]-3,5-difluoro-benzamide 4-amino-N-[2-(cyclopropylamino)-…

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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)	0.77	1.04	-8.49	4	5	0	84	269.251	4	↓ MOL2 SDF SMILES Flexibase

63005562

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3,5-difluoro-4-(methylamino)benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.15	1.85	-8.54	3	5	0	70	283.278	5	↓ MOL2 SDF SMILES Flexibase

63008061

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3,5-difluoro-4-hydrazino-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.53	0.86	-9.19	5	6	0	96	284.266	5	↓ MOL2 SDF SMILES Flexibase

63010607

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3,4,5-trifluoro-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.45	3.16	-8.41	2	4	0	58	272.226	4	↓ MOL2 SDF SMILES Flexibase

63010907

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3,4,5-trifluoro-N-methyl-benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.22	5.16	-14.09	1	4	0	49	286.253	4	↓ MOL2 SDF SMILES Flexibase

55045285

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)	1.72	5.47	-14.13	2	6	0	85	336.413	8	↓ MOL2 SDF SMILES Flexibase

55045287

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)	1.72	5.47	-14.23	2	6	0	85	336.413	8	↓ MOL2 SDF SMILES Flexibase

66067034

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-4-(diethylamino)benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.96	5.28	-9.52	2	5	0	61	289.379	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.96	5.38	-29.97	3	5	0	63	290.387	7	↓ MOL2 SDF SMILES Flexibase

66067322

Analogs

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Popular Name: N-[2-(cyclopropylamino)-2-oxo-ethyl]-3-(methylsulfonylmethyl)benzamide N-[2-(cyclopropylamino)-2-oxo-et…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.45	1.19	-20.99	2	6	0	92	310.375	6	↓ MOL2 SDF SMILES Flexibase

66067350

Analogs

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Popular Name: 3-chloro-N-[2-(cyclopropylamino)-2-oxo-ethyl]-4-isopentyloxy-5-methoxy-benzamide 3-chloro-N-[2-(cyclopropylamino)…

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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)	3.21	5.88	-9.27	2	6	0	77	368.861	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 27589
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 = 27589 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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