ZINC 12

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ZINC Item

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71509540

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropylamino)-3-(o-tolyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(o-t…

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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)	2.02	4.73	-40.06	3	2	1	37	206.309	5	↓ MOL2 SDF SMILES Flexibase

71509541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(o-tolyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(o-t…

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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)	2.02	4.79	-39.77	3	2	1	37	206.309	5	↓ MOL2 SDF SMILES Flexibase

71509550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropylamino)-3-(m-tolyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(m-t…

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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)	2.05	4.98	-38.71	3	2	1	37	206.309	5	↓ MOL2 SDF SMILES Flexibase

71509551

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(m-tolyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(m-t…

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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)	2.05	5.01	-38.67	3	2	1	37	206.309	5	↓ MOL2 SDF SMILES Flexibase

71509560

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropylamino)-3-(p-tolyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(p-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	4.99	-38.56	3	2	1	37	206.309	5	↓ MOL2 SDF SMILES Flexibase

71509561

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(p-tolyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(p-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.07	5.02	-38.47	3	2	1	37	206.309	5	↓ MOL2 SDF SMILES Flexibase

71511572

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(2-fluorophenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(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)	1.74	4.49	-37.83	3	2	1	37	210.272	5	↓ MOL2 SDF SMILES Flexibase

71511573

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(2-fluorophenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(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)	1.74	4.36	-37.45	3	2	1	37	210.272	5	↓ MOL2 SDF SMILES Flexibase

71511582

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(4-fluorophenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(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)	1.79	4.38	-42.53	3	2	1	37	210.272	5	↓ MOL2 SDF SMILES Flexibase

71511583

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(4-fluorophenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(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)	1.79	4.42	-42.51	3	2	1	37	210.272	5	↓ MOL2 SDF SMILES Flexibase

71511592

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropylamino)-3-(3-fluorophenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(3-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)	1.76	4.38	-41.3	3	2	1	37	210.272	5	↓ MOL2 SDF SMILES Flexibase

71511593

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(3-fluorophenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(3-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)	1.76	4.42	-41.64	3	2	1	37	210.272	5	↓ MOL2 SDF SMILES Flexibase

71521574

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropylamino)-3-(2,5-dimethylphenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(2,5…

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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)	2.45	5.92	-39.57	3	2	1	37	220.336	5	↓ MOL2 SDF SMILES Flexibase

71521575

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(2,5-dimethylphenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(2,5…

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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)	2.45	5.53	-39.7	3	2	1	37	220.336	5	↓ MOL2 SDF SMILES Flexibase

71521584

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(3,4-dimethylphenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(3,4…

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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)	2.45	5.54	-38.57	3	2	1	37	220.336	5	↓ MOL2 SDF SMILES Flexibase

71521585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(3,4-dimethylphenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(3,4…

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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)	2.45	5.57	-38.44	3	2	1	37	220.336	5	↓ MOL2 SDF SMILES Flexibase

71521594

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(3,5-dimethylphenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(3,5…

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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)	2.45	5.64	-38.76	3	2	1	37	220.336	5	↓ MOL2 SDF SMILES Flexibase

71521595

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(3,5-dimethylphenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(3,5…

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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)	2.45	5.67	-38.73	3	2	1	37	220.336	5	↓ MOL2 SDF SMILES Flexibase

71521614

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(4-ethylphenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(4-e…

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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)	2.54	5.76	-38.36	3	2	1	37	220.336	6	↓ MOL2 SDF SMILES Flexibase

71521615

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(4-ethylphenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(4-e…

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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)	2.54	5.79	-38.28	3	2	1	37	220.336	6	↓ MOL2 SDF SMILES Flexibase

71523029

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(3-methoxyphenyl)propan-2-ol (2S)-1-(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)	1.66	3.61	-39.96	3	3	1	46	222.308	6	↓ MOL2 SDF SMILES Flexibase

71523030

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(3-methoxyphenyl)propan-2-ol (2R)-1-(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)	1.66	3.65	-40.17	3	3	1	46	222.308	6	↓ MOL2 SDF SMILES Flexibase

71523039

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-(cyclopropylamino)-3-(4-methoxyphenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(4-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)	1.68	3.61	-41.17	3	3	1	46	222.308	6	↓ MOL2 SDF SMILES Flexibase

71523040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-(cyclopropylamino)-3-(4-methoxyphenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(4-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)	1.68	3.65	-41.27	3	3	1	46	222.308	6	↓ MOL2 SDF SMILES Flexibase

71532623

Analogs

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Popular Name: (2S)-1-(2-chlorophenyl)-3-(cyclopropylamino)propan-2-ol (2S)-1-(2-chlorophenyl)-3-(cyclo…

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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	5.06	-36.97	3	2	1	37	226.727	5	↓ MOL2 SDF SMILES Flexibase

71532624

Analogs

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Popular Name: (2R)-1-(2-chlorophenyl)-3-(cyclopropylamino)propan-2-ol (2R)-1-(2-chlorophenyl)-3-(cyclo…

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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	4.74	-36.92	3	2	1	37	226.727	5	↓ MOL2 SDF SMILES Flexibase

71532633

Analogs

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Popular Name: (2S)-1-(3-chlorophenyl)-3-(cyclopropylamino)propan-2-ol (2S)-1-(3-chlorophenyl)-3-(cyclo…

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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)	2.28	4.82	-40.23	3	2	1	37	226.727	5	↓ MOL2 SDF SMILES Flexibase

71532634

Analogs

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Popular Name: (2R)-1-(3-chlorophenyl)-3-(cyclopropylamino)propan-2-ol (2R)-1-(3-chlorophenyl)-3-(cyclo…

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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)	2.28	4.86	-40.48	3	2	1	37	226.727	5	↓ MOL2 SDF SMILES Flexibase

71532643

Analogs

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Popular Name: (2S)-1-(4-chlorophenyl)-3-(cyclopropylamino)propan-2-ol (2S)-1-(4-chlorophenyl)-3-(cyclo…

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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)	2.30	4.83	-41.31	3	2	1	37	226.727	5	↓ MOL2 SDF SMILES Flexibase

71532644

Analogs

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Popular Name: (2R)-1-(4-chlorophenyl)-3-(cyclopropylamino)propan-2-ol (2R)-1-(4-chlorophenyl)-3-(cyclo…

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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)	2.30	4.87	-41.25	3	2	1	37	226.727	5	↓ MOL2 SDF SMILES Flexibase

71533047

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(2,4-difluorophenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(2,4…

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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)	1.88	4.39	-40.59	3	2	1	37	228.262	5	↓ MOL2 SDF SMILES Flexibase

71533048

Analogs

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Popular Name: (2R)-1-(cyclopropylamino)-3-(2,4-difluorophenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(2,4…

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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)	1.88	4.67	-41.02	3	2	1	37	228.262	5	↓ MOL2 SDF SMILES Flexibase

71537188

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(4-isopropylphenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(4-i…

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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)	3.13	6.24	-38.15	3	2	1	37	234.363	6	↓ MOL2 SDF SMILES Flexibase

71537189

Analogs

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Popular Name: (2R)-1-(cyclopropylamino)-3-(4-isopropylphenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(4-i…

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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)	3.13	6.28	-38.18	3	2	1	37	234.363	6	↓ MOL2 SDF SMILES Flexibase

71547021

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(2-nitrophenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(2-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)	1.53	4.69	-41.3	3	5	1	83	237.279	6	↓ MOL2 SDF SMILES Flexibase

71547022

Analogs

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Popular Name: (2R)-1-(cyclopropylamino)-3-(2-nitrophenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(2-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)	1.53	4.74	-41.45	3	5	1	83	237.279	6	↓ MOL2 SDF SMILES Flexibase

71547031

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(3-nitrophenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(3-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)	1.56	5.03	-47.84	3	5	1	83	237.279	6	↓ MOL2 SDF SMILES Flexibase

71547032

Analogs

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Popular Name: (2R)-1-(cyclopropylamino)-3-(3-nitrophenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(3-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)	1.56	5.06	-48.62	3	5	1	83	237.279	6	↓ MOL2 SDF SMILES Flexibase

71547041

Analogs

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Popular Name: (2S)-1-(cyclopropylamino)-3-(4-nitrophenyl)propan-2-ol (2S)-1-(cyclopropylamino)-3-(4-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)	1.58	5.03	-50.7	3	5	1	83	237.279	6	↓ MOL2 SDF SMILES Flexibase

71547042

Analogs

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Popular Name: (2R)-1-(cyclopropylamino)-3-(4-nitrophenyl)propan-2-ol (2R)-1-(cyclopropylamino)-3-(4-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)	1.58	5.06	-50.67	3	5	1	83	237.279	6	↓ MOL2 SDF SMILES Flexibase

71562065

Analogs

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Popular Name: (2S)-1-(4-tert-butylphenyl)-3-(cyclopropylamino)propan-2-ol (2S)-1-(4-tert-butylphenyl)-3-(c…

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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)	3.33	6.64	-38.01	3	2	1	37	248.39	6	↓ MOL2 SDF SMILES Flexibase

71562066

Analogs

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Popular Name: (2R)-1-(4-tert-butylphenyl)-3-(cyclopropylamino)propan-2-ol (2R)-1-(4-tert-butylphenyl)-3-(c…

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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)	3.33	6.67	-38.04	3	2	1	37	248.39	6	↓ MOL2 SDF SMILES Flexibase

71576872

Analogs

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Popular Name: (2S)-1-(3-chloro-4-methoxy-phenyl)-3-(cyclopropylamino)propan-2-ol (2S)-1-(3-chloro-4-methoxy-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)	2.29	4.16	-42.92	3	3	1	46	256.753	6	↓ MOL2 SDF SMILES Flexibase

71576873

Analogs

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Popular Name: (2R)-1-(3-chloro-4-methoxy-phenyl)-3-(cyclopropylamino)propan-2-ol (2R)-1-(3-chloro-4-methoxy-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)	2.29	4.2	-43.33	3	3	1	46	256.753	6	↓ MOL2 SDF SMILES Flexibase

52949350

Analogs

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Popular Name: N-[3-(4-bromo-2-fluoro-phenyl)propyl]cyclopropanamine N-[3-(4-bromo-2-fluoro-phenyl)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)	3.69	8.2	-38.28	2	1	1	17	273.169	5	↓ MOL2 SDF SMILES Flexibase

52949352

Analogs

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Popular Name: N-[3-(3-fluoro-4-methoxy-phenyl)propyl]cyclopropanamine N-[3-(3-fluoro-4-methoxy-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)	2.93	6.92	-42.97	2	2	1	26	224.299	6	↓ MOL2 SDF SMILES Flexibase

52949355

Analogs

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Popular Name: N-[3-(2,6-dichlorophenyl)propyl]cyclopropanamine N-[3-(2,6-dichlorophenyl)propyl]…

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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)	4.04	8.39	-34	2	1	1	17	245.173	5	↓ MOL2 SDF SMILES Flexibase

52949357

Analogs

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Popular Name: N-[3-[3-(trifluoromethyl)phenyl]propyl]cyclopropanamine N-[3-[3-(trifluoromethyl)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)	3.66	8.54	-39.88	2	1	1	17	244.28	6	↓ MOL2 SDF SMILES Flexibase

52949362

Analogs

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Popular Name: N-[3-(5-bromo-2-fluoro-phenyl)propyl]cyclopropanamine N-[3-(5-bromo-2-fluoro-phenyl)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)	3.69	8.19	-36.6	2	1	1	17	273.169	5	↓ MOL2 SDF SMILES Flexibase

52949364

Analogs

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Popular Name: N-[3-(2,4-dichlorophenyl)propyl]cyclopropanamine N-[3-(2,4-dichlorophenyl)propyl]…

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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)	4.07	8.41	-37.88	2	1	1	17	245.173	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

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Permalink

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Embed Link to Results

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