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)	2.00	9	-84.63	3	4	2	47	292.471	9	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.00	6.83	-46.92	2	4	1	46	291.463	9	↓ MOL2 SDF SMILES Flexibase

54853865

Analogs

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Popular Name: N-[2-(2-isobutyl-4,6-dimethyl-pyrimidin-5-yl)ethyl]cyclopropanamine N-[2-(2-isobutyl-4,6-dimethyl-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)	2.34	7.7	-46.04	2	3	1	42	248.394	6	↓ MOL2 SDF SMILES Flexibase

54853866

Analogs

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Popular Name: N-[2-(2-isopropyl-4,6-dimethyl-pyrimidin-5-yl)ethyl]cyclopropanamine N-[2-(2-isopropyl-4,6-dimethyl-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)	2.08	6.92	-46.49	2	3	1	42	234.367	5	↓ MOL2 SDF SMILES Flexibase

54853875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-tert-butyl-4,6-dimethyl-pyrimidin-5-yl)ethyl]cyclopropanamine N-[2-(2-tert-butyl-4,6-dimethyl-…

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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	7.67	-46.03	2	3	1	42	248.394	5	↓ MOL2 SDF SMILES Flexibase

54853882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4,6-dimethyl-2-propyl-pyrimidin-5-yl)ethyl]cyclopropanamine N-[2-(4,6-dimethyl-2-propyl-pyri…

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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)	2.09	7.1	-46.66	2	3	1	42	234.367	6	↓ MOL2 SDF SMILES Flexibase

54853884

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(4,6-dimethylpyrimidin-5-yl)ethyl]cyclopropanamine N-[2-(4,6-dimethylpyrimidin-5-yl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	0.93	5.77	-46.8	2	3	1	42	192.286	4	↓ MOL2 SDF SMILES Flexibase

54853886

Analogs

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Popular Name: 5-[2-(cyclopropylamino)ethyl]-N,N-diethyl-4,6-dimethyl-pyrimidin-2-amine 5-[2-(cyclopropylamino)ethyl]-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)	2.64	10.17	-45.25	2	4	1	46	263.409	7	↓ MOL2 SDF SMILES Flexibase

54853889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[2-(cyclopropylamino)ethyl]-N,N,4,6-tetramethyl-pyrimidin-2-amine 5-[2-(cyclopropylamino)ethyl]-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)	1.89	8.25	-46.44	2	4	1	46	235.355	5	↓ MOL2 SDF SMILES Flexibase

54853896

Analogs

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Popular Name: N-[2-[2-(2-methoxyethyl)-4,6-dimethyl-pyrimidin-5-yl]ethyl]cyclopropanamine N-[2-[2-(2-methoxyethyl)-4,6-dim…

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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)	1.20	5.4	-48.75	2	4	1	52	250.366	7	↓ MOL2 SDF SMILES Flexibase

54853897

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4,6-dimethyl-2-(2,2,2-trifluoroethyl)pyrimidin-5-yl]ethyl]cyclopropanamine N-[2-[4,6-dimethyl-2-(2,2,2-trif…

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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)	2.14	6.6	-48.83	2	3	1	42	274.31	6	↓ MOL2 SDF SMILES Flexibase

54853898

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(2-isopentyl-4,6-dimethyl-pyrimidin-5-yl)ethyl]cyclopropanamine N-[2-(2-isopentyl-4,6-dimethyl-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)	2.87	8.39	-46.42	2	3	1	42	262.421	7	↓ MOL2 SDF SMILES Flexibase

54853900

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-(methoxymethyl)-4,6-dimethyl-pyrimidin-5-yl]ethyl]cyclopropanamine N-[2-[2-(methoxymethyl)-4,6-dime…

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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)	0.99	4.69	-49.57	2	4	1	52	236.339	6	↓ MOL2 SDF SMILES Flexibase

54853902

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]ethyl]cyclopropanamine N-[2-[4,6-dimethyl-2-(propoxymet…

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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	6.45	-49.07	2	4	1	52	264.393	8	↓ MOL2 SDF SMILES Flexibase

54855016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine N-[(2R)-2-[4,6-dimethyl-2-(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)	0.73	3.39	-55.41	2	5	1	77	298.432	6	↓ MOL2 SDF SMILES Flexibase

54855017

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[4,6-dimethyl-2-(methylsulfonylmethyl)pyrimidin-5-yl]propyl]cyclopropanamine N-[(2S)-2-[4,6-dimethyl-2-(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)	0.73	3.36	-55.53	2	5	1	77	298.432	6	↓ MOL2 SDF SMILES Flexibase

54855020

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2,4,6-trimethylpyrimidin-5-yl)propyl]cyclopropanamine N-[(2R)-2-(2,4,6-trimethylpyrimi…

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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)	1.34	6.01	-45.47	2	3	1	42	220.34	4	↓ MOL2 SDF SMILES Flexibase

54855021

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2,4,6-trimethylpyrimidin-5-yl)propyl]cyclopropanamine N-[(2S)-2-(2,4,6-trimethylpyrimi…

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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)	1.34	5.98	-45.61	2	3	1	42	220.34	4	↓ MOL2 SDF SMILES Flexibase

54855022

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-ethyl-4,6-dimethyl-pyrimidin-5-yl)propyl]cyclopropanamine N-[(2R)-2-(2-ethyl-4,6-dimethyl-…

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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)	1.92	6.62	-45.26	2	3	1	42	234.367	5	↓ MOL2 SDF SMILES Flexibase

54855023

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-ethyl-4,6-dimethyl-pyrimidin-5-yl)propyl]cyclopropanamine N-[(2S)-2-(2-ethyl-4,6-dimethyl-…

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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)	1.92	6.59	-45.36	2	3	1	42	234.367	5	↓ MOL2 SDF SMILES Flexibase

54855030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-isobutyl-4,6-dimethyl-pyrimidin-5-yl)propyl]cyclopropanamine N-[(2R)-2-(2-isobutyl-4,6-dimeth…

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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)	2.66	8	-44.58	2	3	1	42	262.421	6	↓ MOL2 SDF SMILES Flexibase

54855031

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-isobutyl-4,6-dimethyl-pyrimidin-5-yl)propyl]cyclopropanamine N-[(2S)-2-(2-isobutyl-4,6-dimeth…

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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)	2.66	7.97	-44.6	2	3	1	42	262.421	6	↓ MOL2 SDF SMILES Flexibase

54855032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-isopropyl-4,6-dimethyl-pyrimidin-5-yl)propyl]cyclopropanamine N-[(2R)-2-(2-isopropyl-4,6-dimet…

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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)	2.40	7.21	-44.99	2	3	1	42	248.394	5	↓ MOL2 SDF SMILES Flexibase

54855033

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-(2-isopropyl-4,6-dimethyl-pyrimidin-5-yl)propyl]cyclopropanamine N-[(2S)-2-(2-isopropyl-4,6-dimet…

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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)	2.40	7.18	-45.03	2	3	1	42	248.394	5	↓ MOL2 SDF SMILES Flexibase

54855046

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(2-tert-butyl-4,6-dimethyl-pyrimidin-5-yl)propyl]cyclopropanamine N-[(2R)-2-(2-tert-butyl-4,6-dime…

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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)	3.07	7.97	-44.52	2	3	1	42	262.421	5	↓ MOL2 SDF SMILES Flexibase

54855047

Analogs

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Popular Name: N-[(2S)-2-(2-tert-butyl-4,6-dimethyl-pyrimidin-5-yl)propyl]cyclopropanamine N-[(2S)-2-(2-tert-butyl-4,6-dime…

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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)	3.07	7.94	-44.69	2	3	1	42	262.421	5	↓ MOL2 SDF SMILES Flexibase

54855056

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-(4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine N-[(2R)-2-(4,6-dimethylpyrimidin…

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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)	1.26	6.06	-45.16	2	3	1	42	206.313	4	↓ MOL2 SDF SMILES Flexibase

54855057

Analogs

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Popular Name: N-[(2S)-2-(4,6-dimethylpyrimidin-5-yl)propyl]cyclopropanamine N-[(2S)-2-(4,6-dimethylpyrimidin…

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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)	1.26	6.03	-45.29	2	3	1	42	206.313	4	↓ MOL2 SDF SMILES Flexibase

54855060

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1R)-2-(cyclopropylamino)-1-methyl-ethyl]-N,N-diethyl-4,6-dimethyl-pyrimidin-2-amine 5-[(1R)-2-(cyclopropylamino)-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)	2.97	10.45	-43.86	2	4	1	46	277.436	7	↓ MOL2 SDF SMILES Flexibase

54855061

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 5-[(1S)-2-(cyclopropylamino)-1-methyl-ethyl]-N,N-diethyl-4,6-dimethyl-pyrimidin-2-amine 5-[(1S)-2-(cyclopropylamino)-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)	2.97	10.44	-44.01	2	4	1	46	277.436	7	↓ MOL2 SDF SMILES Flexibase

54855076

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2R)-2-[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]propyl]cyclopropanamine N-[(2R)-2-[4,6-dimethyl-2-(propo…

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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	6.75	-47.3	2	4	1	52	278.42	8	↓ MOL2 SDF SMILES Flexibase

54855077

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(2S)-2-[4,6-dimethyl-2-(propoxymethyl)pyrimidin-5-yl]propyl]cyclopropanamine N-[(2S)-2-[4,6-dimethyl-2-(propo…

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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	6.72	-47.5	2	4	1	52	278.42	8	↓ MOL2 SDF SMILES Flexibase

68849276

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-[2-(2,2-dimethylpropyl)-4,6-dimethyl-pyrimidin-5-yl]ethyl]cyclopropanamine N-[2-[2-(2,2-dimethylpropyl)-4,6…

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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)	2.92	8.15	-45.49	2	3	1	42	262.421	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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