ZINC 12

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	7.84	-91.01	3	4	2	40	294.439	10	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.90	5.39	-40.34	2	4	1	38	293.431	10	↓ MOL2 SDF SMILES Flexibase

62033033

Analogs

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Popular Name: 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N,2-dimethyl-aniline 4-[(cyclopropylamino)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)	2.60	8.62	-37.34	2	3	1	29	263.405	8	↓ MOL2 SDF SMILES Flexibase

62033041

Analogs

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Popular Name: 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N,3-dimethyl-aniline 4-[(cyclopropylamino)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)	2.60	7.78	-35.28	2	3	1	29	263.405	8	↓ MOL2 SDF SMILES Flexibase

62033054

Analogs

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Popular Name: 3-chloro-2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methyl-aniline 3-chloro-2-[(cyclopropylamino)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)	2.80	8.42	-32.94	2	3	1	29	283.823	8	↓ MOL2 SDF SMILES Flexibase

62033061

Analogs

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Popular Name: 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methyl-aniline 4-[(cyclopropylamino)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)	2.22	7.16	-35.83	2	3	1	29	249.378	8	↓ MOL2 SDF SMILES Flexibase

62033067

Analogs

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Popular Name: 2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methyl-aniline 2-[(cyclopropylamino)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)	2.17	7.79	-36.47	2	3	1	29	249.378	8	↓ MOL2 SDF SMILES Flexibase

62033073

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(cyclopropylamino)methyl]-2-fluoro-N-(3-methoxypropyl)-N-methyl-aniline 4-[(cyclopropylamino)methyl]-2-f…

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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	7.58	-42.3	2	3	1	29	267.368	8	↓ MOL2 SDF SMILES Flexibase

62033078

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-bromo-2-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methyl-aniline 5-bromo-2-[(cyclopropylamino)met…

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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	8.42	-41.16	2	3	1	29	328.274	8	↓ MOL2 SDF SMILES Flexibase

62033104

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(cyclopropylamino)methyl]-4-fluoro-N-(3-methoxypropyl)-N-methyl-aniline 2-[(cyclopropylamino)methyl]-4-f…

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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	7.86	-39.32	2	3	1	29	267.368	8	↓ MOL2 SDF SMILES Flexibase

35366518

Analogs

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Popular Name: (2R)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-carbamoyl-propanamide (2R)-2-[(2-aminophenyl)methyl-cy…

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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)	0.25	2.92	-47.29	6	6	1	103	277.348	5	↓ MOL2 SDF SMILES Flexibase

35366519

Analogs

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Popular Name: (2R)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-propyl-propanamide (2R)-2-[(2-aminophenyl)methyl-cy…

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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)	1.86	5.9	-34.63	4	4	1	60	276.404	7	↓ MOL2 SDF SMILES Flexibase

35366520

Analogs

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Popular Name: (2S)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-propyl-propanamide (2S)-2-[(2-aminophenyl)methyl-cy…

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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)	1.86	6.36	-30.97	4	4	1	60	276.404	7	↓ MOL2 SDF SMILES Flexibase

35366521

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-(methylcarbamoyl)propanamide (2S)-2-[(2-aminophenyl)methyl-cy…

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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	4.39	-45.88	5	6	1	89	291.375	5	↓ MOL2 SDF SMILES Flexibase

35366522

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-(methylcarbamoyl)propanamide (2R)-2-[(2-aminophenyl)methyl-cy…

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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	4.33	-47.1	5	6	1	89	291.375	5	↓ MOL2 SDF SMILES Flexibase

35366525

Analogs

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Popular Name: (2R)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-isobutyl-propanamide (2R)-2-[(2-aminophenyl)methyl-cy…

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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)	2.10	6.64	-34.71	4	4	1	60	290.431	7	↓ MOL2 SDF SMILES Flexibase

35366526

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-isobutyl-propanamide (2S)-2-[(2-aminophenyl)methyl-cy…

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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)	2.10	6.57	-33.48	4	4	1	60	290.431	7	↓ MOL2 SDF SMILES Flexibase

35366527

Analogs

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Popular Name: (2S)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-tert-butyl-propanamide (2S)-2-[(2-aminophenyl)methyl-cy…

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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)	2.16	6.37	-32.65	4	4	1	60	290.431	6	↓ MOL2 SDF SMILES Flexibase

35366528

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-tert-butyl-propanamide (2R)-2-[(2-aminophenyl)methyl-cy…

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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)	2.16	6.56	-31.43	4	4	1	60	290.431	6	↓ MOL2 SDF SMILES Flexibase

35366529

Analogs

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Popular Name: (2S)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-(2-methoxyethyl)propanamide (2S)-2-[(2-aminophenyl)methyl-cy…

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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)	0.96	4.14	-33.34	4	5	1	69	292.403	8	↓ MOL2 SDF SMILES Flexibase

35366530

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N-(2-methoxyethyl)propanamide (2R)-2-[(2-aminophenyl)methyl-cy…

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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)	0.96	4.21	-34.07	4	5	1	69	292.403	8	↓ MOL2 SDF SMILES Flexibase

35366531

Analogs

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Popular Name: (2S)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N,N-dimethyl-propanamide (2S)-2-[(2-aminophenyl)methyl-cy…

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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)	0.78	6.21	-31.29	3	4	1	51	262.377	5	↓ MOL2 SDF SMILES Flexibase

35366532

Analogs

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Popular Name: (2R)-2-[(2-aminophenyl)methyl-cyclopropyl-amino]-N,N-dimethyl-propanamide (2R)-2-[(2-aminophenyl)methyl-cy…

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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)	0.78	6.23	-31.68	3	4	1	51	262.377	5	↓ MOL2 SDF SMILES Flexibase

35366533

Analogs

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Popular Name: 2-[[cyclopropyl-[(1R)-1-methylpropyl]amino]methyl]aniline 2-[[cyclopropyl-[(1R)-1-methylpr…

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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)	2.75	7.22	-28.95	3	2	1	30	219.352	5	↓ MOL2 SDF SMILES Flexibase

35366534

Analogs

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Popular Name: 2-[[cyclopropyl-[(1S)-1-methylpropyl]amino]methyl]aniline 2-[[cyclopropyl-[(1S)-1-methylpr…

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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)	2.75	7.64	-27.95	3	2	1	30	219.352	5	↓ MOL2 SDF SMILES Flexibase

62034583

Analogs

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Popular Name: (2R)-2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-phenyl-propanenitrile (2R)-2-(cyclopropylamino)-3-[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)	2.19	7.15	-44	2	4	1	49	288.415	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	5.24	-5.71	1	4	0	48	287.407	9	↓ MOL2 SDF SMILES Flexibase

62034584

Analogs

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Popular Name: (2S)-2-(cyclopropylamino)-3-[3-methoxypropyl(methyl)amino]-2-phenyl-propanenitrile (2S)-2-(cyclopropylamino)-3-[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)	2.19	7.7	-39.25	2	4	1	49	288.415	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	5.6	-7.07	1	4	0	48	287.407	9	↓ MOL2 SDF SMILES Flexibase

45413201

Analogs

32108420
32108421
32108427
32110474

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Popular Name: N-[(4-chlorophenyl)methyl]-N-cyclopropyl-acetamide N-[(4-chlorophenyl)methyl]-N-cyc…

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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	7.37	-7.4	0	2	0	20	223.703	3	↓ MOL2 SDF SMILES Flexibase

45413586

Analogs

32128727
32130456
32130458

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Popular Name: N-[(3-bromophenyl)methyl]-N-cyclopropyl-acetamide N-[(3-bromophenyl)methyl]-N-cycl…

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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	7.5	-6.4	0	2	0	20	268.154	3	↓ MOL2 SDF SMILES Flexibase

45413598

Analogs

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Popular Name: N-cyclopropyl-N-[(2,4-difluorophenyl)methyl]acetamide N-cyclopropyl-N-[(2,4-difluoroph…

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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	6.99	-5.54	0	2	0	20	225.238	3	↓ MOL2 SDF SMILES Flexibase

45413647

Analogs

32099967

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Popular Name: N-cyclopropyl-N-[(3-fluorophenyl)methyl]acetamide N-cyclopropyl-N-[(3-fluorophenyl…

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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)	1.61	6.95	-6.77	0	2	0	20	207.248	3	↓ MOL2 SDF SMILES Flexibase

35368038

Analogs

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Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]cyclopropanamine N-[(2-chloro-5-nitro-phenyl)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)	2.43	7.16	-41.46	2	4	1	62	227.671	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.43	5.84	-4.26	1	4	0	58	226.663	4	↓ MOL2 SDF SMILES Flexibase

45414224

Analogs

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Popular Name: N-cyclopropyl-N-(m-tolylmethyl)acetamide N-cyclopropyl-N-(m-tolylmethyl)a…

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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)	1.89	7.25	-8.17	0	2	0	20	203.285	3	↓ MOL2 SDF SMILES Flexibase

45414272

Analogs

32114312
32126464
32128168
32128169
32160004

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Popular Name: N-cyclopropyl-N-[(4-ethylphenyl)methyl]acetamide N-cyclopropyl-N-[(4-ethylphenyl)…

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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)	2.38	8.03	-7.97	0	2	0	20	217.312	4	↓ MOL2 SDF SMILES Flexibase

45414447

Analogs

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Popular Name: tert-butyl tert-butyl

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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	8.27	-9.68	1	5	0	59	350.434	9	↓ MOL2 SDF SMILES Flexibase

62036007

Analogs

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Popular Name: N-[[2-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine N-[[2-[2-[3-methoxypropyl(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)	2.16	8.18	-96.25	3	4	2	40	294.439	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.16	5.83	-32.38	2	4	1	38	293.431	11	↓ MOL2 SDF SMILES Flexibase

62036012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[3-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine N-[[3-[2-[3-methoxypropyl(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)	2.18	8.13	-85.76	3	4	2	40	294.439	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.18	5.78	-37.1	2	4	1	38	293.431	11	↓ MOL2 SDF SMILES Flexibase

62036020

Analogs

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Popular Name: N-[[3-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine N-[[3-[[3-methoxypropyl(methyl)a…

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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	8.35	-94.62	3	3	2	30	264.413	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.90	6.02	-37.86	2	3	1	29	263.405	9	↓ MOL2 SDF SMILES Flexibase

62036095

Analogs

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Popular Name: N-[[2-[[3-methoxypropyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine N-[[2-[[3-methoxypropyl(methyl)a…

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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	8.38	-108.06	3	3	2	30	264.413	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.87	6.42	-36.07	2	3	1	29	263.405	9	↓ MOL2 SDF SMILES Flexibase

62036131

Analogs

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Popular Name: N-[[4-[2-[3-methoxypropyl(methyl)amino]ethoxy]phenyl]methyl]cyclopropanamine N-[[4-[2-[3-methoxypropyl(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)	2.20	8.13	-84.07	3	4	2	40	294.439	11	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.20	5.78	-39.69	2	4	1	38	293.431	11	↓ MOL2 SDF SMILES Flexibase

62037875

Analogs

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Popular Name: 4-[(cyclopropylamino)methyl]-N-(3-methoxypropyl)-N-methyl-benzenesulfonamide 4-[(cyclopropylamino)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)	1.43	4.7	-51.9	2	5	1	63	313.443	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.43	3.41	-10.21	1	5	0	59	312.435	9	↓ MOL2 SDF SMILES Flexibase

35624723

Analogs

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Popular Name: N-[(1S)-1-(2,4-dichlorophenyl)propyl]cyclopropanamine N-[(1S)-1-(2,4-dichlorophenyl)pr…

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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)	3.31	8.21	-36.97	2	1	1	17	245.173	4	↓ MOL2 SDF SMILES Flexibase

35624725

Analogs

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Popular Name: N-[(1R)-1-(2,4-dichlorophenyl)propyl]cyclopropanamine N-[(1R)-1-(2,4-dichlorophenyl)pr…

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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)	3.31	8.08	-36.66	2	1	1	17	245.173	4	↓ MOL2 SDF SMILES Flexibase

35628433

Analogs

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Popular Name: 2-[(1R)-1-(cyclopropylamino)ethyl]-4-methyl-phenol 2-[(1R)-1-(cyclopropylamino)ethy…

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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	4.53	-34.59	3	2	1	37	192.282	3	↓ MOL2 SDF SMILES Flexibase

35628434

Analogs

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Popular Name: 2-[(1S)-1-(cyclopropylamino)ethyl]-4-methyl-phenol 2-[(1S)-1-(cyclopropylamino)ethy…

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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	4.55	-35.86	3	2	1	37	192.282	3	↓ MOL2 SDF SMILES Flexibase

52045879

Analogs

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Popular Name: (2R)-1-tert-butoxy-3-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol (2R)-1-tert-butoxy-3-[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)	3.48	8.43	-35.73	2	3	1	34	346.413	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.48	7.98	-6.08	1	3	0	33	345.405	9	↓ MOL2 SDF SMILES Flexibase

52045881

Analogs

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Popular Name: (2S)-1-tert-butoxy-3-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]propan-2-ol (2S)-1-tert-butoxy-3-[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)	3.48	8.67	-35.1	2	3	1	34	346.413	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.48	7.46	-7.18	1	3	0	33	345.405	9	↓ MOL2 SDF SMILES Flexibase

52045952

Analogs

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Popular Name: 2-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetonitrile 2-[cyclopropyl-[[2-(trifluoromet…

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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)	2.74	7.61	-9.05	0	2	0	27	254.255	5	↓ MOL2 SDF SMILES Flexibase

52045970

Analogs

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Popular Name: 4-[cyclopropyl-[[2-(trifluoromethyl)phenyl]methyl]amino]butanenitrile 4-[cyclopropyl-[[2-(trifluoromet…

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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	10.66	-44.17	1	2	1	28	283.317	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.68	9.52	-10.06	0	2	0	27	282.309	7	↓ MOL2 SDF SMILES Flexibase

52046378

Analogs

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Popular Name: N-(3-methoxypropyl)-N-[[2-(trifluoromethyl)phenyl]methyl]cyclopropanamine N-(3-methoxypropyl)-N-[[2-(trifl…

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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	9.23	-32.07	1	2	1	14	288.333	8	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.21	8.13	-5.08	0	2	0	12	287.325	8	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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