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ZINC Item

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40335793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(2S)-2-(1-piperidyl)propyl]benzamide 5-amino-2-chloro-N-[(2S)-2-(1-pi…

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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)	2.08	5.81	-42.82	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

40335794

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-[(2R)-2-(1-piperidyl)propyl]benzamide 5-amino-2-chloro-N-[(2R)-2-(1-pi…

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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)	2.08	5.79	-42.86	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

40335796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(2S)-2-(1-piperidyl)propyl]benzamide 2-amino-4-chloro-N-[(2S)-2-(1-pi…

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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)	2.49	6.14	-40.85	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

40335797

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-4-chloro-N-[(2R)-2-(1-piperidyl)propyl]benzamide 2-amino-4-chloro-N-[(2R)-2-(1-pi…

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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)	2.49	6.09	-40.75	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

40335798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[(2S)-2-(1-piperidyl)propyl]benzamide 4-amino-2-chloro-N-[(2S)-2-(1-pi…

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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)	2.08	5.81	-42.73	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

40335799

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-amino-2-chloro-N-[(2R)-2-(1-piperidyl)propyl]benzamide 4-amino-2-chloro-N-[(2R)-2-(1-pi…

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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)	2.08	5.79	-42.75	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

40335800

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-[(2S)-2-(1-piperidyl)propyl]benzamide 2-amino-5-chloro-N-[(2S)-2-(1-pi…

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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)	2.49	6.16	-37.4	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

40335801

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-chloro-N-[(2R)-2-(1-piperidyl)propyl]benzamide 2-amino-5-chloro-N-[(2R)-2-(1-pi…

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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)	2.49	6.09	-37.52	4	4	1	60	296.822	4	↓ MOL2 SDF SMILES Flexibase

40335803

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-[(2S)-2-(1-piperidyl)propyl]benzamide 3-amino-4-methoxy-N-[(2S)-2-(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)	1.87	4.71	-42.42	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

40335804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-methoxy-N-[(2R)-2-(1-piperidyl)propyl]benzamide 3-amino-4-methoxy-N-[(2R)-2-(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)	1.87	4.7	-42.42	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

40335805

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-[(2R)-2-(1-piperidyl)propyl]benzamide 3-amino-2-methyl-N-[(2R)-2-(1-pi…

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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)	2.23	6.03	-39.87	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

40335806

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-[(2S)-2-(1-piperidyl)propyl]benzamide 3-amino-2-methyl-N-[(2S)-2-(1-pi…

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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)	2.23	6.01	-39.43	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

40335812

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-methyl-N-[(2R)-2-(1-piperidyl)propyl]benzamide 2-amino-3-methyl-N-[(2R)-2-(1-pi…

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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)	2.23	6.38	-38.95	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

40335813

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-3-methyl-N-[(2S)-2-(1-piperidyl)propyl]benzamide 2-amino-3-methyl-N-[(2S)-2-(1-pi…

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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)	2.23	6.39	-38.87	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

40335814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-methyl-N-[(2R)-2-(1-piperidyl)propyl]benzamide 2-amino-6-methyl-N-[(2R)-2-(1-pi…

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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)	2.23	5.7	-38.3	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

40335815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-6-methyl-N-[(2S)-2-(1-piperidyl)propyl]benzamide 2-amino-6-methyl-N-[(2S)-2-(1-pi…

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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)	2.23	5.69	-38.2	4	4	1	60	276.404	4	↓ MOL2 SDF SMILES Flexibase

40335817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-[(2S)-2-(1-piperidyl)propyl]benzamide 3-amino-4-fluoro-N-[(2S)-2-(1-pi…

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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)	1.97	5.39	-42.63	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

40335818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-fluoro-N-[(2R)-2-(1-piperidyl)propyl]benzamide 3-amino-4-fluoro-N-[(2R)-2-(1-pi…

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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)	1.97	5.37	-42.58	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

40335824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-[(2S)-2-(1-piperidyl)propyl]benzamide 5-amino-2-fluoro-N-[(2S)-2-(1-pi…

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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)	1.57	5.37	-45.31	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

40335825

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-fluoro-N-[(2R)-2-(1-piperidyl)propyl]benzamide 5-amino-2-fluoro-N-[(2R)-2-(1-pi…

Find On: PubMed — Wikipedia — Google

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)	1.57	5.35	-45.31	4	4	1	60	280.367	4	↓ MOL2 SDF SMILES Flexibase

40335838

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-fluoro-4-methyl-N-[(2R)-2-(1-piperidyl)propyl]benzamide 3-amino-5-fluoro-4-methyl-N-[(2R…

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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)	2.35	6.08	-39.06	4	4	1	60	294.394	4	↓ MOL2 SDF SMILES Flexibase

40335839

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-5-fluoro-4-methyl-N-[(2S)-2-(1-piperidyl)propyl]benzamide 3-amino-5-fluoro-4-methyl-N-[(2S…

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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)	2.35	6.09	-39.09	4	4	1	60	294.394	4	↓ MOL2 SDF SMILES Flexibase

40335840

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-methoxy-N-[(2S)-2-(1-piperidyl)propyl]benzamide 2-amino-5-methoxy-N-[(2S)-2-(1-p…

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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)	1.87	4.93	-37.39	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

40335841

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-amino-5-methoxy-N-[(2R)-2-(1-piperidyl)propyl]benzamide 2-amino-5-methoxy-N-[(2R)-2-(1-p…

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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)	1.87	4.88	-37.52	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

40335846

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-bromo-N-[(2S)-2-(1-piperidyl)propyl]benzamide 3-amino-4-bromo-N-[(2S)-2-(1-pip…

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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	-41.75	4	4	1	60	341.273	4	↓ MOL2 SDF SMILES Flexibase

40335847

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-bromo-N-[(2R)-2-(1-piperidyl)propyl]benzamide 3-amino-4-bromo-N-[(2R)-2-(1-pip…

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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	5.98	-41.71	4	4	1	60	341.273	4	↓ MOL2 SDF SMILES Flexibase

40335848

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methoxy-N-[(2S)-2-(1-piperidyl)propyl]benzamide 5-amino-2-methoxy-N-[(2S)-2-(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)	2.01	5.85	-42.7	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

40335849

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-methoxy-N-[(2R)-2-(1-piperidyl)propyl]benzamide 5-amino-2-methoxy-N-[(2R)-2-(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)	2.01	5.83	-42.68	4	5	1	69	292.403	5	↓ MOL2 SDF SMILES Flexibase

40335852

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-diamino-N-[(2S)-2-(1-piperidyl)propyl]benzamide 2,4-diamino-N-[(2S)-2-(1-piperid…

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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	3.52	-39.26	6	5	1	86	277.392	4	↓ MOL2 SDF SMILES Flexibase

40335853

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-diamino-N-[(2R)-2-(1-piperidyl)propyl]benzamide 2,4-diamino-N-[(2R)-2-(1-piperid…

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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	3.45	-39.29	6	5	1	86	277.392	4	↓ MOL2 SDF SMILES Flexibase

40335854

Analogs

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Popular Name: 3,5-diamino-N-[(2S)-2-(1-piperidyl)propyl]benzamide 3,5-diamino-N-[(2S)-2-(1-piperid…

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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)	0.48	3.16	-41.22	6	5	1	86	277.392	4	↓ MOL2 SDF SMILES Flexibase

40335855

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-diamino-N-[(2R)-2-(1-piperidyl)propyl]benzamide 3,5-diamino-N-[(2R)-2-(1-piperid…

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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)	0.48	3.14	-41.21	6	5	1	86	277.392	4	↓ MOL2 SDF SMILES Flexibase

40335856

Analogs

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Popular Name: 3-amino-4,5-dichloro-N-[(2S)-2-(1-piperidyl)propyl]benzamide 3-amino-4,5-dichloro-N-[(2S)-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)	3.09	6.34	-40.14	4	4	1	60	331.267	4	↓ MOL2 SDF SMILES Flexibase

40335857

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4,5-dichloro-N-[(2R)-2-(1-piperidyl)propyl]benzamide 3-amino-4,5-dichloro-N-[(2R)-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)	3.09	6.32	-40.22	4	4	1	60	331.267	4	↓ MOL2 SDF SMILES Flexibase

40335863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,4-difluoro-N-[(2S)-2-(1-piperidyl)propyl]benzamide 5-amino-2,4-difluoro-N-[(2S)-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)	2.07	5.46	-46.88	4	4	1	60	298.357	4	↓ MOL2 SDF SMILES Flexibase

40335864

Analogs

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Popular Name: 5-amino-2,4-difluoro-N-[(2R)-2-(1-piperidyl)propyl]benzamide 5-amino-2,4-difluoro-N-[(2R)-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)	2.07	5.44	-46.94	4	4	1	60	298.357	4	↓ MOL2 SDF SMILES Flexibase

52894711

Analogs

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Popular Name: 5-ethoxy-4-methoxy-N-[2-methyl-2-(1-piperidyl)propyl]-2-nitro-benzamide 5-ethoxy-4-methoxy-N-[2-methyl-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)	2.79	9.79	-51.23	2	8	1	98	380.465	8	↓ MOL2 SDF SMILES Flexibase

53303584

Analogs

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Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-3-methylsulfonyl-benzamide N-[2-[(3R,5R)-3,5-dimethyl-1-pip…

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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	6.61	-49.84	2	5	1	68	367.535	5	↓ MOL2 SDF SMILES Flexibase

53303867

Analogs

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Popular Name: N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-4-methylsulfonyl-benzamide N-[2-[(3S,5R)-3,5-dimethyl-1-pip…

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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	6.6	-48.81	2	5	1	68	367.535	5	↓ MOL2 SDF SMILES Flexibase

53303868

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-4-methylsulfonyl-benzamide N-[2-[(3S,5S)-3,5-dimethyl-1-pip…

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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	6.61	-47.75	2	5	1	68	367.535	5	↓ MOL2 SDF SMILES Flexibase

53303869

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-4-methylsulfonyl-benzamide N-[2-[(3R,5R)-3,5-dimethyl-1-pip…

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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	6.62	-47.91	2	5	1	68	367.535	5	↓ MOL2 SDF SMILES Flexibase

53304135

Analogs

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Popular Name: N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-3-(methanesulfonamido)-4-methyl-benzamide N-[2-[(3S,5R)-3,5-dimethyl-1-pip…

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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)	3.20	6.59	-67.35	2	6	0	82	395.569	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.20	6.55	-50.45	3	6	1	80	396.577	6	↓ MOL2 SDF SMILES Flexibase

53304136

Analogs

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Popular Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-3-(methanesulfonamido)-4-methyl-benzamide N-[2-[(3S,5S)-3,5-dimethyl-1-pip…

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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)	3.20	6.61	-66.55	2	6	0	82	395.569	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.20	6.54	-49.29	3	6	1	80	396.577	6	↓ MOL2 SDF SMILES Flexibase

53304137

Analogs

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Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-3-(methanesulfonamido)-4-methyl-benzamide N-[2-[(3R,5R)-3,5-dimethyl-1-pip…

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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)	3.20	6.63	-67.1	2	6	0	82	395.569	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.20	6.56	-49.53	3	6	1	80	396.577	6	↓ MOL2 SDF SMILES Flexibase

53304240

Analogs

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Popular Name: N-[2-[(3S,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-2-(methoxymethyl)benzamide N-[2-[(3S,5R)-3,5-dimethyl-1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	8.98	-39.88	2	4	1	43	333.496	6	↓ MOL2 SDF SMILES Flexibase

53304241

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3S,5S)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-2-(methoxymethyl)benzamide N-[2-[(3S,5S)-3,5-dimethyl-1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	8.98	-38.85	2	4	1	43	333.496	6	↓ MOL2 SDF SMILES Flexibase

53304242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[(3R,5R)-3,5-dimethyl-1-piperidyl]-2-methyl-propyl]-2-(methoxymethyl)benzamide N-[2-[(3R,5R)-3,5-dimethyl-1-pip…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.50	8.99	-39.12	2	4	1	43	333.496	6	↓ MOL2 SDF SMILES Flexibase

53367505

Analogs

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Popular Name: N-[2-methyl-2-(1-piperidyl)propyl]-3-(prop-2-ynylsulfamoyl)benzamide N-[2-methyl-2-(1-piperidyl)propy…

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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)	2.08	5.41	-50.17	3	6	1	80	378.518	7	↓ MOL2 SDF SMILES Flexibase

53391948

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-[2-methyl-2-[(3S)-3-methyl-1-piperidyl]propyl]-3-nitro-benzamide 2-methyl-N-[2-methyl-2-[(3S)-3-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)	3.43	9.63	-49.81	2	6	1	79	334.44	5	↓ MOL2 SDF SMILES Flexibase

53404005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(2-amino-2-oxo-ethoxy)-N-[2-methyl-2-[(3S)-3-methyl-1-piperidyl]propyl]benzamide 3-(2-amino-2-oxo-ethoxy)-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)	1.88	5.87	-52.17	4	6	1	86	348.467	7	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
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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', {
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