ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

53559684

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(1S)-1-cyclopropylethyl]ethanamine 2-(4-chloro-3-methyl-phenoxy)-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)	4.03	7.89	-40.09	2	2	1	26	254.781	6	↓ MOL2 SDF SMILES Flexibase

53559689

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-3-methyl-phenoxy)-N-[(1R)-1-cyclopropylethyl]ethanamine 2-(4-chloro-3-methyl-phenoxy)-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)	4.03	8	-39.39	2	2	1	26	254.781	6	↓ MOL2 SDF SMILES Flexibase

53560328

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(2,4,6-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)	4.87	8.54	-35.13	2	2	1	26	309.644	6	↓ MOL2 SDF SMILES Flexibase

53560333

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-(2,4,6-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)	4.87	8.65	-34.46	2	2	1	26	309.644	6	↓ MOL2 SDF SMILES Flexibase

53560352

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-2-(2,4,6-trichlorophenoxy)ethanamine N-(cyclopropylmethyl)-2-(2,4,6-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)	4.19	8.24	-36.79	2	2	1	26	295.617	6	↓ MOL2 SDF SMILES Flexibase

53562452

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-[4-(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)	3.88	7.8	-42.17	2	2	1	26	274.306	7	↓ MOL2 SDF SMILES Flexibase

53562453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[2-[4-(trifluoromethyl)phenoxy]ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-[4-(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)	3.88	7.91	-41.52	2	2	1	26	274.306	7	↓ MOL2 SDF SMILES Flexibase

53562475

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-2-[4-(trifluoromethyl)phenoxy]ethanamine N-(cyclopropylmethyl)-2-[4-(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)	3.19	7.49	-43.71	2	2	1	26	260.279	7	↓ MOL2 SDF SMILES Flexibase

53562563

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-2-(2,4,6-tribromophenoxy)ethanamine N-(cyclopropylmethyl)-2-(2,4,6-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)	4.58	8.57	-36.69	2	2	1	26	428.97	6	↓ MOL2 SDF SMILES Flexibase

53562821

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-2-[2-[(E)-prop-1-enyl]phenoxy]ethanamine N-[(1S)-1-cyclopropylethyl]-2-[2…

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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)	3.85	8.82	-38.32	2	2	1	26	246.374	7	↓ MOL2 SDF SMILES Flexibase

53562824

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-2-[2-[(E)-prop-1-enyl]phenoxy]ethanamine N-[(1R)-1-cyclopropylethyl]-2-[2…

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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)	3.85	8.92	-37.6	2	2	1	26	246.374	7	↓ MOL2 SDF SMILES Flexibase

53562844

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-2-[2-[(E)-prop-1-enyl]phenoxy]ethanamine N-(cyclopropylmethyl)-2-[2-[(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)	3.17	8.52	-39.84	2	2	1	26	232.347	7	↓ MOL2 SDF SMILES Flexibase

53563037

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(2,6-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)	2.60	6.62	-33.82	2	4	1	44	266.361	8	↓ MOL2 SDF SMILES Flexibase

53563040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[2-(2,6-dimethoxyphenoxy)ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-(2,6-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)	2.60	6.73	-33.12	2	4	1	44	266.361	8	↓ MOL2 SDF SMILES Flexibase

53563115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butyl-5-methyl-phenoxy)-N-(cyclopropylmethyl)ethanamine 2-(2-tert-butyl-5-methyl-phenoxy…

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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)	4.38	9.86	-40.79	2	2	1	26	262.417	7	↓ MOL2 SDF SMILES Flexibase

53563359

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethanamine (1S)-1-cyclopropyl-N-[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)	3.83	7.89	-39.13	2	2	1	26	274.306	7	↓ MOL2 SDF SMILES Flexibase

53563362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[2-[2-(trifluoromethyl)phenoxy]ethyl]ethanamine (1R)-1-cyclopropyl-N-[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)	3.83	7.99	-38.19	2	2	1	26	274.306	7	↓ MOL2 SDF SMILES Flexibase

53563378

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-2-[2-(trifluoromethyl)phenoxy]ethanamine N-(cyclopropylmethyl)-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)	3.15	7.58	-40.48	2	2	1	26	260.279	7	↓ MOL2 SDF SMILES Flexibase

53563700

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(2,4-dif…

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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)	3.23	6.94	-41.89	2	2	1	26	242.289	6	↓ MOL2 SDF SMILES Flexibase

53563703

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-1-cyclopropyl-N-[2-(2,4-difluorophenoxy)ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-(2,4-dif…

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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)	3.23	7.03	-40.95	2	2	1	26	242.289	6	↓ MOL2 SDF SMILES Flexibase

53563755

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-(2-tert-butyl-4-methoxy-phenoxy)ethyl]-1-cyclopropyl-ethanamine (1S)-N-[2-(2-tert-butyl-4-methox…

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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)	4.67	8.79	-42.07	2	3	1	35	292.443	8	↓ MOL2 SDF SMILES Flexibase

53563757

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(2-tert-butyl-4-methoxy-phenoxy)ethyl]-1-cyclopropyl-ethanamine (1R)-N-[2-(2-tert-butyl-4-methox…

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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)	4.67	8.89	-41.43	2	3	1	35	292.443	8	↓ MOL2 SDF SMILES Flexibase

53563761

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butyl-4-methoxy-phenoxy)-N-(cyclopropylmethyl)ethanamine 2-(2-tert-butyl-4-methoxy-phenox…

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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)	3.99	8.48	-43.68	2	3	1	35	278.416	8	↓ MOL2 SDF SMILES Flexibase

53563882

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-tert-butyl-4-methyl-phenoxy)-N-(cyclopropylmethyl)ethanamine 2-(2-tert-butyl-4-methyl-phenoxy…

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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)	4.38	9.86	-40.68	2	2	1	26	262.417	7	↓ MOL2 SDF SMILES Flexibase

53563957

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-N-[(1S)-1-cyclopropylethyl]ethanamine 2-(4-chloro-2,6-dimethyl-phenoxy…

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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)	4.41	8.74	-40.37	2	2	1	26	268.808	6	↓ MOL2 SDF SMILES Flexibase

53563960

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-N-[(1R)-1-cyclopropylethyl]ethanamine 2-(4-chloro-2,6-dimethyl-phenoxy…

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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)	4.41	8.84	-39.66	2	2	1	26	268.808	6	↓ MOL2 SDF SMILES Flexibase

53563969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-chloro-2,6-dimethyl-phenoxy)-N-(cyclopropylmethyl)ethanamine 2-(4-chloro-2,6-dimethyl-phenoxy…

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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)	3.73	8.42	-42.02	2	2	1	26	254.781	6	↓ MOL2 SDF SMILES Flexibase

53564242

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-(2-bromo-4-fluoro-phenoxy)ethyl]-1-cyclopropyl-ethanamine (1S)-N-[2-(2-bromo-4-fluoro-phen…

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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)	3.88	7.53	-41.5	2	2	1	26	303.195	6	↓ MOL2 SDF SMILES Flexibase

53564243

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(2-bromo-4-fluoro-phenoxy)ethyl]-1-cyclopropyl-ethanamine (1R)-N-[2-(2-bromo-4-fluoro-phen…

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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)	3.88	7.64	-40.62	2	2	1	26	303.195	6	↓ MOL2 SDF SMILES Flexibase

53564261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-bromo-4-fluoro-phenoxy)-N-(cyclopropylmethyl)ethanamine 2-(2-bromo-4-fluoro-phenoxy)-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)	3.20	7.22	-42.89	2	2	1	26	289.168	6	↓ MOL2 SDF SMILES Flexibase

53564349

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-N-[2-(2-tert-butylphenoxy)ethyl]-1-cyclopropyl-ethanamine (1S)-N-[2-(2-tert-butylphenoxy)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)	4.64	9.51	-39.07	2	2	1	26	262.417	7	↓ MOL2 SDF SMILES Flexibase

53564350

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-N-[2-(2-tert-butylphenoxy)ethyl]-1-cyclopropyl-ethanamine (1R)-N-[2-(2-tert-butylphenoxy)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)	4.64	9.61	-38.37	2	2	1	26	262.417	7	↓ MOL2 SDF SMILES Flexibase

53564707

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(2,4-dimethylphenoxy)ethanamine N-[(1S)-1-cyclopropylethyl]-2-(2…

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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)	3.81	8.21	-37.77	2	2	1	26	234.363	6	↓ MOL2 SDF SMILES Flexibase

53564709

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(2,4-dimethylphenoxy)ethanamine N-[(1R)-1-cyclopropylethyl]-2-(2…

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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)	3.81	8.32	-37.05	2	2	1	26	234.363	6	↓ MOL2 SDF SMILES Flexibase

53564828

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-1-cyclopropyl-N-[2-(4-isopropylphenoxy)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(4-isopr…

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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)	4.49	8.73	-37.05	2	2	1	26	248.39	7	↓ MOL2 SDF SMILES Flexibase

53564830

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[2-(4-isopropylphenoxy)ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-(4-isopr…

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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)	4.49	8.82	-36.27	2	2	1	26	248.39	7	↓ MOL2 SDF SMILES Flexibase

53564962

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-[2-(3-isopropylphenoxy)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(3-isopr…

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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)	4.47	8.71	-37.11	2	2	1	26	248.39	7	↓ MOL2 SDF SMILES Flexibase

53564964

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[2-(3-isopropylphenoxy)ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-(3-isopr…

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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)	4.47	8.81	-36.36	2	2	1	26	248.39	7	↓ MOL2 SDF SMILES Flexibase

53565186

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(2-ethoxyphenoxy)ethanamine N-[(1S)-1-cyclopropylethyl]-2-(2…

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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	7.6	-37.05	2	3	1	35	250.362	8	↓ MOL2 SDF SMILES Flexibase

53565187

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(2-ethoxyphenoxy)ethanamine N-[(1R)-1-cyclopropylethyl]-2-(2…

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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	7.71	-36.25	2	3	1	35	250.362	8	↓ MOL2 SDF SMILES Flexibase

53565477

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(2,3-dimethylphenoxy)ethanamine N-[(1S)-1-cyclopropylethyl]-2-(2…

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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)	3.78	8.09	-37.69	2	2	1	26	234.363	6	↓ MOL2 SDF SMILES Flexibase

53565480

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(2,3-dimethylphenoxy)ethanamine N-[(1R)-1-cyclopropylethyl]-2-(2…

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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)	3.78	8.19	-36.95	2	2	1	26	234.363	6	↓ MOL2 SDF SMILES Flexibase

53565662

Analogs

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Popular Name: (1S)-1-cyclopropyl-N-[2-(3-methoxyphenoxy)ethyl]ethanamine (1S)-1-cyclopropyl-N-[2-(3-metho…

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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)	3.01	6.1	-39.42	2	3	1	35	236.335	7	↓ MOL2 SDF SMILES Flexibase

53565664

Analogs

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Popular Name: (1R)-1-cyclopropyl-N-[2-(3-methoxyphenoxy)ethyl]ethanamine (1R)-1-cyclopropyl-N-[2-(3-metho…

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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)	3.01	6.19	-38.65	2	3	1	35	236.335	7	↓ MOL2 SDF SMILES Flexibase

53565826

Analogs

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Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(4-ethylphenoxy)ethanamine N-[(1S)-1-cyclopropylethyl]-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)	3.89	8.24	-37.13	2	2	1	26	234.363	7	↓ MOL2 SDF SMILES Flexibase

53565828

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(4-ethylphenoxy)ethanamine N-[(1R)-1-cyclopropylethyl]-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)	3.89	8.34	-36.4	2	2	1	26	234.363	7	↓ MOL2 SDF SMILES Flexibase

53565946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(1S)-1-cyclopropylethyl]-2-(2-isopropyl-5-methyl-phenoxy)ethanamine N-[(1S)-1-cyclopropylethyl]-2-(2…

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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)	4.39	9.47	-37.88	2	2	1	26	262.417	7	↓ MOL2 SDF SMILES Flexibase

53565948

Analogs

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Popular Name: N-[(1R)-1-cyclopropylethyl]-2-(2-isopropyl-5-methyl-phenoxy)ethanamine N-[(1R)-1-cyclopropylethyl]-2-(2…

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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)	4.39	9.59	-37.15	2	2	1	26	262.417	7	↓ MOL2 SDF SMILES Flexibase

53565958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-2-(2-isopropyl-5-methyl-phenoxy)ethanamine N-(cyclopropylmethyl)-2-(2-isopr…

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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)	3.71	9.17	-39.42	2	2	1	26	248.39	7	↓ MOL2 SDF SMILES Flexibase

53566007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopropylmethyl)-2-(4-isopropyl-3-methyl-phenoxy)ethanamine N-(cyclopropylmethyl)-2-(4-isopr…

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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)	3.71	8.94	-38.52	2	2	1	26	248.39	7	↓ MOL2 SDF SMILES Flexibase

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Structural Results Found: (before additional filtering)

SQL Query Was

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