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ZINC Item

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40334080

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 5-amino-2-chloro-N-methyl-N-[(1-…

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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	4.56	-12.63	2	5	0	64	278.743	3	↓ MOL2 SDF SMILES Flexibase

40334081

Analogs

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Popular Name: 2-amino-4-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 2-amino-4-chloro-N-methyl-N-[(1-…

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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	4.82	-9.18	2	5	0	64	278.743	3	↓ MOL2 SDF SMILES Flexibase

40334082

Analogs

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Popular Name: 4-amino-2-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 4-amino-2-chloro-N-methyl-N-[(1-…

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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	4.57	-12.93	2	5	0	64	278.743	3	↓ MOL2 SDF SMILES Flexibase

40334083

Analogs

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Popular Name: 2-amino-5-chloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 2-amino-5-chloro-N-methyl-N-[(1-…

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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	4.82	-8.87	2	5	0	64	278.743	3	↓ MOL2 SDF SMILES Flexibase

40334084

Analogs

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Popular Name: 3-amino-4-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3-amino-4-methoxy-N-methyl-N-[(1…

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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)	0.15	3.48	-12.27	2	6	0	73	274.324	4	↓ MOL2 SDF SMILES Flexibase

40334085

Analogs

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Popular Name: 3-amino-N,2-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3-amino-N,2-dimethyl-N-[(1-methy…

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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)	0.52	4.82	-13.95	2	5	0	64	258.325	3	↓ MOL2 SDF SMILES Flexibase

40334087

Analogs

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Popular Name: 2-amino-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 2-amino-N,3-dimethyl-N-[(1-methy…

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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)	0.52	5.03	-12.59	2	5	0	64	258.325	3	↓ MOL2 SDF SMILES Flexibase

40334088

Analogs

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Popular Name: 2-amino-N,6-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 2-amino-N,6-dimethyl-N-[(1-methy…

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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)	0.52	4.76	-12.57	2	5	0	64	258.325	3	↓ MOL2 SDF SMILES Flexibase

40334089

Analogs

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Popular Name: 3-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3-amino-4-fluoro-N-methyl-N-[(1-…

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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)	0.26	4.15	-11.08	2	5	0	64	262.288	3	↓ MOL2 SDF SMILES Flexibase

40334092

Analogs

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Popular Name: 5-amino-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 5-amino-2-fluoro-N-methyl-N-[(1-…

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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)	-0.15	4.14	-14.92	2	5	0	64	262.288	3	↓ MOL2 SDF SMILES Flexibase

40334103

Analogs

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Popular Name: 3-amino-5-fluoro-N,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3-amino-5-fluoro-N,4-dimethyl-N-…

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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)	0.63	4.85	-13.36	2	5	0	64	276.315	3	↓ MOL2 SDF SMILES Flexibase

40334105

Analogs

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Popular Name: 2-amino-5-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 2-amino-5-methoxy-N-methyl-N-[(1…

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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)	0.15	3.59	-10.24	2	6	0	73	274.324	4	↓ MOL2 SDF SMILES Flexibase

40334110

Analogs

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Popular Name: 3-amino-4-bromo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3-amino-4-bromo-N-methyl-N-[(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)	0.90	4.76	-10.54	2	5	0	64	323.194	3	↓ MOL2 SDF SMILES Flexibase

40334113

Analogs

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Popular Name: 5-amino-2-methoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 5-amino-2-methoxy-N-methyl-N-[(1…

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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)	0.29	4.21	-14.32	2	6	0	73	274.324	4	↓ MOL2 SDF SMILES Flexibase

40334124

Analogs

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Popular Name: 2,4-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 2,4-diamino-N-methyl-N-[(1-methy…

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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)	-0.83	2.19	-10.73	4	6	0	90	259.313	3	↓ MOL2 SDF SMILES Flexibase

40334127

Analogs

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Popular Name: 3,5-diamino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3,5-diamino-N-methyl-N-[(1-methy…

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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)	-1.24	1.93	-12.34	4	6	0	90	259.313	3	↓ MOL2 SDF SMILES Flexibase

40334130

Analogs

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Popular Name: 3-amino-4,5-dichloro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3-amino-4,5-dichloro-N-methyl-N-…

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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)	1.38	5.11	-11.8	2	5	0	64	313.188	3	↓ MOL2 SDF SMILES Flexibase

40334133

Analogs

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Popular Name: 3-amino-4-(dimethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3-amino-4-(dimethylamino)-N-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)	0.19	5.35	-10.66	2	6	0	67	287.367	4	↓ MOL2 SDF SMILES Flexibase

40334136

Analogs

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Popular Name: 5-amino-2-(dimethylamino)-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 5-amino-2-(dimethylamino)-N-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)	-0.21	5.37	-10.89	2	6	0	67	287.367	4	↓ MOL2 SDF SMILES Flexibase

40334139

Analogs

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Popular Name: 3-amino-4-ethoxy-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3-amino-4-ethoxy-N-methyl-N-[(1-…

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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)	0.52	4.39	-15.66	2	6	0	73	288.351	5	↓ MOL2 SDF SMILES Flexibase

40334160

Analogs

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Popular Name: 5-amino-2,4-difluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 5-amino-2,4-difluoro-N-methyl-N-…

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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)	0.35	4.22	-13.67	2	5	0	64	280.278	3	↓ MOL2 SDF SMILES Flexibase

40335737

Analogs

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Popular Name: 5-amino-2-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide 5-amino-2-chloro-N-(1H-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.52	1.5	-11.8	4	5	0	84	250.689	3	↓ MOL2 SDF SMILES Flexibase

40335738

Analogs

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Popular Name: 2-amino-4-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide 2-amino-4-chloro-N-(1H-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	1.84	-8.39	4	5	0	84	250.689	3	↓ MOL2 SDF SMILES Flexibase

40335739

Analogs

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Popular Name: 4-amino-2-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide 4-amino-2-chloro-N-(1H-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.52	1.49	-12.32	4	5	0	84	250.689	3	↓ MOL2 SDF SMILES Flexibase

40335740

Analogs

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Popular Name: 2-amino-5-chloro-N-(1H-pyrazol-4-ylmethyl)benzamide 2-amino-5-chloro-N-(1H-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	1.83	-8.02	4	5	0	84	250.689	3	↓ MOL2 SDF SMILES Flexibase

40335741

Analogs

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Popular Name: 3-amino-4-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide 3-amino-4-methoxy-N-(1H-pyrazol-…

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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)	0.31	0.41	-11.5	4	6	0	93	246.27	4	↓ MOL2 SDF SMILES Flexibase

40335742

Analogs

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Popular Name: 3-amino-2-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide 3-amino-2-methyl-N-(1H-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	1.78	-10.01	4	5	0	84	230.271	3	↓ MOL2 SDF SMILES Flexibase

40335744

Analogs

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Popular Name: 2-amino-3-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide 2-amino-3-methyl-N-(1H-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	2.09	-8.95	4	5	0	84	230.271	3	↓ MOL2 SDF SMILES Flexibase

40335745

Analogs

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Popular Name: 2-amino-4,5-dimethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide 2-amino-4,5-dimethoxy-N-(1H-pyra…

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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)	-0.10	0.55	-11.46	4	7	0	102	276.296	5	↓ MOL2 SDF SMILES Flexibase

40335746

Analogs

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Popular Name: 2-amino-6-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide 2-amino-6-methyl-N-(1H-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	1.39	-10.25	4	5	0	84	230.271	3	↓ MOL2 SDF SMILES Flexibase

40335747

Analogs

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Popular Name: 3-amino-4-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide 3-amino-4-fluoro-N-(1H-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.41	1.07	-10.34	4	5	0	84	234.234	3	↓ MOL2 SDF SMILES Flexibase

40335753

Analogs

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Popular Name: 5-amino-2-fluoro-N-(1H-pyrazol-4-ylmethyl)benzamide 5-amino-2-fluoro-N-(1H-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.01	1.06	-14.11	4	5	0	84	234.234	3	↓ MOL2 SDF SMILES Flexibase

40335760

Analogs

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Popular Name: 3-amino-5-fluoro-4-methyl-N-(1H-pyrazol-4-ylmethyl)benzamide 3-amino-5-fluoro-4-methyl-N-(1H-…

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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)	0.79	1.79	-9.8	4	5	0	84	248.261	3	↓ MOL2 SDF SMILES Flexibase

40335762

Analogs

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Popular Name: 2-amino-5-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide 2-amino-5-methoxy-N-(1H-pyrazol-…

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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)	0.31	0.61	-9.38	4	6	0	93	246.27	4	↓ MOL2 SDF SMILES Flexibase

40335765

Analogs

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Popular Name: 3-amino-4-bromo-N-(1H-pyrazol-4-ylmethyl)benzamide 3-amino-4-bromo-N-(1H-pyrazol-4-…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.06	1.69	-9.79	4	5	0	84	295.14	3	↓ MOL2 SDF SMILES Flexibase

40335766

Analogs

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Popular Name: 5-amino-2-methoxy-N-(1H-pyrazol-4-ylmethyl)benzamide 5-amino-2-methoxy-N-(1H-pyrazol-…

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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	1.54	-13.58	4	6	0	93	246.27	4	↓ MOL2 SDF SMILES Flexibase

40335770

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide 2,4-diamino-N-(1H-pyrazol-4-ylme…

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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)	-0.67	-0.81	-9.94	6	6	0	110	231.259	3	↓ MOL2 SDF SMILES Flexibase

40335771

Analogs

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Popular Name: 3,5-diamino-N-(1H-pyrazol-4-ylmethyl)benzamide 3,5-diamino-N-(1H-pyrazol-4-ylme…

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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)	-1.08	-1.15	-11.47	6	6	0	110	231.259	3	↓ MOL2 SDF SMILES Flexibase

40335772

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4,5-dichloro-N-(1H-pyrazol-4-ylmethyl)benzamide 3-amino-4,5-dichloro-N-(1H-pyraz…

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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)	1.53	2.03	-8.93	4	5	0	84	285.134	3	↓ MOL2 SDF SMILES Flexibase

40335773

Analogs

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Popular Name: 3-amino-4-(dimethylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide 3-amino-4-(dimethylamino)-N-(1H-…

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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)	0.35	2.29	-10.11	4	6	0	87	259.313	4	↓ MOL2 SDF SMILES Flexibase

40335774

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2-(dimethylamino)-N-(1H-pyrazol-4-ylmethyl)benzamide 5-amino-2-(dimethylamino)-N-(1H-…

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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)	-0.05	2.6	-10.44	4	6	0	87	259.313	4	↓ MOL2 SDF SMILES Flexibase

40335775

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-4-ethoxy-N-(1H-pyrazol-4-ylmethyl)benzamide 3-amino-4-ethoxy-N-(1H-pyrazol-4…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.68	1.33	-11.2	4	6	0	93	260.297	5	↓ MOL2 SDF SMILES Flexibase

40335783

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-amino-2,4-difluoro-N-(1H-pyrazol-4-ylmethyl)benzamide 5-amino-2,4-difluoro-N-(1H-pyraz…

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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)	0.51	1.14	-12.81	4	5	0	84	252.224	3	↓ MOL2 SDF SMILES Flexibase

40335875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-amino-2-methyl-N-[(3-methyl-1H-pyrazol-4-yl)methyl]benzamide 3-amino-2-methyl-N-[(3-methyl-1H…

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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)	0.90	2.34	-9.89	4	5	0	84	244.298	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.90	2.31	-9.4	4	5	0	84	244.298	3	↓ MOL2 SDF SMILES Flexibase

53409307

Analogs

37986782

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Popular Name: 4-(difluoromethylsulfanyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide 4-(difluoromethylsulfanyl)-N-[(1…

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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)	1.90	5.69	-12.43	1	4	0	47	297.33	5	↓ MOL2 SDF SMILES Flexibase

53409411

Analogs

37983212

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide 2,4-dimethyl-N-[(1-methylpyrazol…

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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)	1.73	5.77	-9.93	1	4	0	47	243.31	3	↓ MOL2 SDF SMILES Flexibase

53409412

Analogs

37986641
27929256

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1-methylpyrazol-4-yl)methyl]-3,5-bis(trifluoromethyl)benzamide N-[(1-methylpyrazol-4-yl)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)	2.62	6.43	-9.66	1	4	0	47	351.25	5	↓ MOL2 SDF SMILES Flexibase

53409418

Analogs

37983237

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(methoxymethyl)-N-[(1-methylpyrazol-4-yl)methyl]benzamide 4-(methoxymethyl)-N-[(1-methylpy…

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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)	0.86	4.15	-11.66	1	5	0	56	259.309	5	↓ MOL2 SDF SMILES Flexibase

53409420

Analogs

37983238
37986665
37987322
37987333

Draw Identity 99% 90% 80% 70%

Popular Name: 2,5-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide 2,5-dimethoxy-N-[(1-methylpyrazo…

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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)	1.50	4.26	-13.61	1	6	0	65	275.308	5	↓ MOL2 SDF SMILES Flexibase

53409495

Analogs

37983167
37983203

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethoxy-N-[(1-methylpyrazol-4-yl)methyl]benzamide 3,4-dimethoxy-N-[(1-methylpyrazo…

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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	3.64	-13.83	1	6	0	65	275.308	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 = 15985 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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Embed Link to Results

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