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36868804

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-[(cyclopropylamino)methyl]-3,5-dimethyl-pyrazol-1-yl]methyl]benzonitrile 2-[[4-[(cyclopropylamino)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)	1.98	8.76	-47.28	2	4	1	58	281.383	5	↓ MOL2 SDF SMILES Flexibase

36868806

Analogs

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Popular Name: N-[[1-[(4-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-methoxyphenyl)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)	2.33	7.85	-40.57	2	4	1	44	286.399	6	↓ MOL2 SDF SMILES Flexibase

36868807

Analogs

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Popular Name: N-[[1-[(2-chloro-4-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-chloro-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)	3.05	9.06	-42.49	2	3	1	34	308.808	5	↓ MOL2 SDF SMILES Flexibase

36868808

Analogs

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Popular Name: N-[[1-[(5-bromo-2-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(5-bromo-2-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)	3.18	9.21	-40.67	2	3	1	34	353.259	5	↓ MOL2 SDF SMILES Flexibase

36868809

Analogs

43459183

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Popular Name: N-[[1-[(2-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-fluorophenyl)methyl]-3…

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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)	2.39	8.59	-43.19	2	3	1	34	274.363	5	↓ MOL2 SDF SMILES Flexibase

36868816

Analogs

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Popular Name: N-[[1-[(2,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2,4-dichlorophenyl)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)	3.56	9.5	-41.75	2	3	1	34	325.263	5	↓ MOL2 SDF SMILES Flexibase

36868818

Analogs

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Popular Name: N-[[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3-methoxyphenyl)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)	2.31	7.85	-42.53	2	4	1	44	286.399	6	↓ MOL2 SDF SMILES Flexibase

36868819

Analogs

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Popular Name: N-[[1-[(2-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-bromophenyl)methyl]-3,…

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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)	3.04	9.11	-40.53	2	3	1	34	335.269	5	↓ MOL2 SDF SMILES Flexibase

36868820

Analogs

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Popular Name: N-[[1-[(2-bromo-4-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-bromo-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)	3.18	9.18	-42.13	2	3	1	34	353.259	5	↓ MOL2 SDF SMILES Flexibase

36868822

Analogs

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Popular Name: 4-[[4-[(cyclopropylamino)methyl]-3,5-dimethyl-pyrazol-1-yl]methyl]benzonitrile 4-[[4-[(cyclopropylamino)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)	2.03	8.93	-44.8	2	4	1	58	281.383	5	↓ MOL2 SDF SMILES Flexibase

36868824

Analogs

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Popular Name: N-[[1-[(3-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3-chlorophenyl)methyl]-3…

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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)	2.93	9.06	-41.97	2	3	1	34	290.818	5	↓ MOL2 SDF SMILES Flexibase

36868850

Analogs

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Popular Name: N-[[1-[(4-bromo-2-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-bromo-2-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)	3.18	9.22	-43.74	2	3	1	34	353.259	5	↓ MOL2 SDF SMILES Flexibase

36868852

Analogs

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Popular Name: N-[[1-[(3,4-dichlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3,4-dichlorophenyl)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)	3.56	9.52	-43.23	2	3	1	34	325.263	5	↓ MOL2 SDF SMILES Flexibase

36868855

Analogs

43459183

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Popular Name: N-[[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3-fluorophenyl)methyl]-3…

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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)	2.42	8.62	-43.22	2	3	1	34	274.363	5	↓ MOL2 SDF SMILES Flexibase

36868864

Analogs

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Popular Name: N-[[1-[(4-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-fluorophenyl)methyl]-3…

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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	8.62	-41.34	2	3	1	34	274.363	5	↓ MOL2 SDF SMILES Flexibase

36868865

Analogs

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Popular Name: N-[[3,5-dimethyl-1-(m-tolylmethyl)pyrazol-4-yl]methyl]cyclopropanamine N-[[3,5-dimethyl-1-(m-tolylmethy…

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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)	2.70	9.21	-39.61	2	3	1	34	270.4	5	↓ MOL2 SDF SMILES Flexibase

36868869

Analogs

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Popular Name: N-[[3,5-dimethyl-1-(o-tolylmethyl)pyrazol-4-yl]methyl]cyclopropanamine N-[[3,5-dimethyl-1-(o-tolylmethy…

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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)	2.68	9.14	-38.08	2	3	1	34	270.4	5	↓ MOL2 SDF SMILES Flexibase

36868870

Analogs

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Popular Name: N-[[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-bromophenyl)methyl]-3,…

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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	9.17	-40.57	2	3	1	34	335.269	5	↓ MOL2 SDF SMILES Flexibase

36868872

Analogs

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Popular Name: N-[[1-[(3-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3-bromophenyl)methyl]-3,…

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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)	3.06	9.16	-41.93	2	3	1	34	335.269	5	↓ MOL2 SDF SMILES Flexibase

36868873

Analogs

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Popular Name: 3-[[4-[(cyclopropylamino)methyl]-3,5-dimethyl-pyrazol-1-yl]methyl]benzonitrile 3-[[4-[(cyclopropylamino)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)	2.01	8.92	-46.8	2	4	1	58	281.383	5	↓ MOL2 SDF SMILES Flexibase

36868876

Analogs

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Popular Name: N-[[1-[(4-chlorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-chlorophenyl)methyl]-3…

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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)	2.96	9.07	-40.65	2	3	1	34	290.818	5	↓ MOL2 SDF SMILES Flexibase

54717437

Analogs

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Popular Name: N-[[1-[(2-bromo-5-fluoro-phenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-bromo-5-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)	3.18	9.18	-39.16	2	3	1	34	353.259	5	↓ MOL2 SDF SMILES Flexibase

54719814

Analogs

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Popular Name: N-[[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[[3-(trifluoromethyl)pheny…

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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)	2.70	8.63	-41.29	2	3	1	34	296.316	6	↓ MOL2 SDF SMILES Flexibase

54719823

Analogs

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Popular Name: N-[[1-[(2-chloro-4-fluoro-phenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-chloro-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)	2.60	8.12	-39.5	2	3	1	34	280.754	5	↓ MOL2 SDF SMILES Flexibase

54719825

Analogs

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Popular Name: N-[[1-[(4-tert-butylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-tert-butylphenyl)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)	3.54	9.96	-39.83	2	3	1	34	284.427	6	↓ MOL2 SDF SMILES Flexibase

54719829

Analogs

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Popular Name: N-[[1-[(2,4-dichlorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2,4-dichlorophenyl)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)	3.12	8.56	-38.88	2	3	1	34	297.209	5	↓ MOL2 SDF SMILES Flexibase

54719835

Analogs

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Popular Name: N-[[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-chlorophenyl)methyl]py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	8.16	-41.88	2	3	1	34	262.764	5	↓ MOL2 SDF SMILES Flexibase

54719838

Analogs

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Popular Name: N-[[1-[(2-bromo-4-fluoro-phenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-bromo-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)	2.73	8.18	-39.42	2	3	1	34	325.205	5	↓ MOL2 SDF SMILES Flexibase

54719841

Analogs

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Popular Name: N-[[1-[(3-bromophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3-bromophenyl)methyl]pyr…

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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	8.25	-40.4	2	3	1	34	307.215	5	↓ MOL2 SDF SMILES Flexibase

54719852

Analogs

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Popular Name: N-[[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3-fluorophenyl)methyl]py…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.97	7.7	-41.22	2	3	1	34	246.309	5	↓ MOL2 SDF SMILES Flexibase

54719857

Analogs

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Popular Name: N-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-fluorophenyl)methyl]py…

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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)	2.00	7.7	-42.87	2	3	1	34	246.309	5	↓ MOL2 SDF SMILES Flexibase

54719860

Analogs

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Popular Name: N-[[1-(m-tolylmethyl)pyrazol-4-yl]methyl]cyclopropanamine N-[[1-(m-tolylmethyl)pyrazol-4-y…

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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)	2.26	8.3	-40.33	2	3	1	34	242.346	5	↓ MOL2 SDF SMILES Flexibase

54719862

Analogs

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Popular Name: N-[[1-(o-tolylmethyl)pyrazol-4-yl]methyl]cyclopropanamine N-[[1-(o-tolylmethyl)pyrazol-4-y…

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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	8.3	-40.09	2	3	1	34	242.346	5	↓ MOL2 SDF SMILES Flexibase

54719865

Analogs

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Popular Name: N-[[1-[(4-bromophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-bromophenyl)methyl]pyr…

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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)	2.64	8.26	-41.9	2	3	1	34	307.215	5	↓ MOL2 SDF SMILES Flexibase

54719868

Analogs

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Popular Name: N-[[1-[(3-bromo-4-fluoro-phenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3-bromo-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)	2.73	8.29	-43.13	2	3	1	34	325.205	5	↓ MOL2 SDF SMILES Flexibase

54719870

Analogs

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Popular Name: N-[[1-[(2-bromo-5-fluoro-phenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-bromo-5-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)	2.73	8.28	-40.48	2	3	1	34	325.205	5	↓ MOL2 SDF SMILES Flexibase

54719873

Analogs

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Popular Name: N-[[1-[(2-nitrophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-nitrophenyl)methyl]pyr…

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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)	1.75	8.33	-47.91	2	6	1	80	273.316	6	↓ MOL2 SDF SMILES Flexibase

54719875

Analogs

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Popular Name: N-[[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-fluorophenyl)methyl]py…

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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)	1.95	7.66	-42.61	2	3	1	34	246.309	5	↓ MOL2 SDF SMILES Flexibase

54719878

Analogs

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Popular Name: N-[[1-[(4-nitrophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-nitrophenyl)methyl]pyr…

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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)	1.79	8.35	-48.83	2	6	1	80	273.316	6	↓ MOL2 SDF SMILES Flexibase

54719880

Analogs

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Popular Name: N-[[1-[(3-chlorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3-chlorophenyl)methyl]py…

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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	8.15	-40.5	2	3	1	34	262.764	5	↓ MOL2 SDF SMILES Flexibase

54719883

Analogs

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Popular Name: N-[[1-[(2-bromophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-bromophenyl)methyl]pyr…

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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	8.21	-40.5	2	3	1	34	307.215	5	↓ MOL2 SDF SMILES Flexibase

54719884

Analogs

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Popular Name: N-[[1-[(3-nitrophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3-nitrophenyl)methyl]pyr…

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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	8.35	-45.44	2	6	1	80	273.316	6	↓ MOL2 SDF SMILES Flexibase

54719889

Analogs

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Popular Name: N-[[1-[(5-bromo-2-fluoro-phenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(5-bromo-2-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)	2.73	8.28	-41.48	2	3	1	34	325.205	5	↓ MOL2 SDF SMILES Flexibase

54719892

Analogs

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Popular Name: N-[[1-[(5-fluoro-2-nitro-phenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(5-fluoro-2-nitro-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)	1.88	8.38	-45.8	2	6	1	80	291.306	6	↓ MOL2 SDF SMILES Flexibase

54719894

Analogs

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Popular Name: N-[[1-[(3,4-dichlorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(3,4-dichlorophenyl)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)	3.12	8.6	-42.37	2	3	1	34	297.209	5	↓ MOL2 SDF SMILES Flexibase

54719900

Analogs

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Popular Name: N-[[1-[(4-isopropylphenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-isopropylphenyl)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)	3.35	9.57	-39.89	2	3	1	34	270.4	6	↓ MOL2 SDF SMILES Flexibase

54719903

Analogs

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Popular Name: N-[[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2,6-dichlorophenyl)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)	3.09	8.45	-37.82	2	3	1	34	297.209	5	↓ MOL2 SDF SMILES Flexibase

54719913

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[1-[(4-bromo-2-fluoro-phenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(4-bromo-2-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)	2.73	8.28	-39.43	2	3	1	34	325.205	5	↓ MOL2 SDF SMILES Flexibase

54719918

Analogs

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Popular Name: N-[[1-[(2-methyl-3-nitro-phenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-methyl-3-nitro-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)	2.15	8.91	-49.44	2	6	1	80	287.343	6	↓ MOL2 SDF SMILES Flexibase

54719925

Analogs

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Popular Name: N-[[1-[(2-bromo-4-nitro-phenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine N-[[1-[(2-bromo-4-nitro-phenyl)m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.53	8.83	-44.58	2	6	1	80	352.212	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 116876
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 = 116876 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
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