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ZINC Item

Suppliers, Protomers, & Similar Substances

69227513

Analogs

44133664
44133666
44133737
44133739
42861462

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[cyclopentylmethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol (1R)-2-[cyclopentylmethyl(methyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.00	6.82	-39.9	2	3	1	34	264.389	6	↓ MOL2 SDF SMILES Flexibase

69227665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[cyclopentylmethyl(methyl)amino]-1-phenyl-ethanol (1R)-2-[cyclopentylmethyl(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)	2.94	7.52	-37.02	2	2	1	25	234.363	5	↓ MOL2 SDF SMILES Flexibase

65527966

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[[(1S)-2-(2-fluorophenyl)-1-methyl-ethyl]amino]methyl]cyclopentyl]methanol [1-[[[(1S)-2-(2-fluorophenyl)-1-…

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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	6.74	-39.97	3	2	1	37	266.38	6	↓ MOL2 SDF SMILES Flexibase

65527968

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: [1-[[[(1R)-2-(2-fluorophenyl)-1-methyl-ethyl]amino]methyl]cyclopentyl]methanol [1-[[[(1R)-2-(2-fluorophenyl)-1-…

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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	6.98	-34.21	3	2	1	37	266.38	6	↓ MOL2 SDF SMILES Flexibase

41230539

Analogs

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Popular Name: N-(cyclopentylmethyl)-2-(m-tolyl)ethanamine N-(cyclopentylmethyl)-2-(m-tolyl…

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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)	3.76	9.35	-41.49	2	1	1	17	218.364	5	↓ MOL2 SDF SMILES Flexibase

41238040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-2-(2-fluorophenyl)ethanamine N-(cyclopentylmethyl)-2-(2-fluor…

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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)	3.45	8.73	-40.47	2	1	1	17	222.327	5	↓ MOL2 SDF SMILES Flexibase

41238052

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(cyclopentylmethyl)-2-(4-fluorophenyl)ethanamine N-(cyclopentylmethyl)-2-(4-fluor…

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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)	3.50	8.76	-46.47	2	1	1	17	222.327	5	↓ MOL2 SDF SMILES Flexibase

70306003

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-cyclopentylethyl]-1-(4-methoxyphenyl)propan-2-amine (2S)-N-[(1S)-1-cyclopentylethyl]…

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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)	4.40	8.95	-36.58	2	2	1	26	262.417	6	↓ MOL2 SDF SMILES Flexibase

70306004

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-cyclopentylethyl]-1-(4-methoxyphenyl)propan-2-amine (2R)-N-[(1S)-1-cyclopentylethyl]…

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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)	4.40	8.78	-36.97	2	2	1	26	262.417	6	↓ MOL2 SDF SMILES Flexibase

70306005

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-cyclopentylethyl]-1-(4-methoxyphenyl)propan-2-amine (2S)-N-[(1R)-1-cyclopentylethyl]…

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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)	4.40	8.81	-36.44	2	2	1	26	262.417	6	↓ MOL2 SDF SMILES Flexibase

70306006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-cyclopentylethyl]-1-(4-methoxyphenyl)propan-2-amine (2R)-N-[(1R)-1-cyclopentylethyl]…

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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)	4.40	8.9	-36.96	2	2	1	26	262.417	6	↓ MOL2 SDF SMILES Flexibase

70306259

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1S)-1-cyclopentylethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine (2S)-N-[(1S)-1-cyclopentylethyl]…

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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	8.85	-41.15	2	3	1	35	292.443	7	↓ MOL2 SDF SMILES Flexibase

70306260

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1S)-1-cyclopentylethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine (2R)-N-[(1S)-1-cyclopentylethyl]…

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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	8.7	-40.18	2	3	1	35	292.443	7	↓ MOL2 SDF SMILES Flexibase

70306261

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-[(1R)-1-cyclopentylethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine (2S)-N-[(1R)-1-cyclopentylethyl]…

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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	8.49	-41.08	2	3	1	35	292.443	7	↓ MOL2 SDF SMILES Flexibase

70306262

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-[(1R)-1-cyclopentylethyl]-1-(3,4-dimethoxyphenyl)propan-2-amine (2R)-N-[(1R)-1-cyclopentylethyl]…

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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	8.8	-40.26	2	3	1	35	292.443	7	↓ MOL2 SDF SMILES Flexibase

70306547

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1S)-1-cyclopentylethyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol (1R)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.90	7.08	-43.8	3	2	1	37	302.36	6	↓ MOL2 SDF SMILES Flexibase

70306548

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1R)-1-cyclopentylethyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol (1R)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.90	7.03	-43.89	3	2	1	37	302.36	6	↓ MOL2 SDF SMILES Flexibase

70306549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1S)-1-cyclopentylethyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol (1S)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.90	7.01	-44.03	3	2	1	37	302.36	6	↓ MOL2 SDF SMILES Flexibase

70306550

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1R)-1-cyclopentylethyl]amino]-1-[3-(trifluoromethyl)phenyl]ethanol (1S)-2-[[(1R)-1-cyclopentylethyl…

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Activity (Go SEA)

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)	3.90	6.96	-44.08	3	2	1	37	302.36	6	↓ MOL2 SDF SMILES Flexibase

70306555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1S)-1-cyclopentylethyl]amino]-2-phenyl-propan-2-ol (2R)-1-[[(1S)-1-cyclopentylethyl…

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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)	3.61	6.51	-39	3	2	1	37	248.39	5	↓ MOL2 SDF SMILES Flexibase

70306556

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[[(1R)-1-cyclopentylethyl]amino]-2-phenyl-propan-2-ol (2R)-1-[[(1R)-1-cyclopentylethyl…

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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)	3.61	6.44	-39.13	3	2	1	37	248.39	5	↓ MOL2 SDF SMILES Flexibase

70306557

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1S)-1-cyclopentylethyl]amino]-2-phenyl-propan-2-ol (2S)-1-[[(1S)-1-cyclopentylethyl…

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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)	3.61	6.51	-39.08	3	2	1	37	248.39	5	↓ MOL2 SDF SMILES Flexibase

70306558

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[[(1R)-1-cyclopentylethyl]amino]-2-phenyl-propan-2-ol (2S)-1-[[(1R)-1-cyclopentylethyl…

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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)	3.61	6.45	-39.11	3	2	1	37	248.39	5	↓ MOL2 SDF SMILES Flexibase

70306611

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(2-fluorophenyl)ethanol (1R)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.14	6.14	-37.65	3	2	1	37	252.353	5	↓ MOL2 SDF SMILES Flexibase

70306612

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(2-fluorophenyl)ethanol (1R)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.14	6.08	-37.67	3	2	1	37	252.353	5	↓ MOL2 SDF SMILES Flexibase

70306613

Analogs

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Popular Name: (1S)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(2-fluorophenyl)ethanol (1S)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.14	6.08	-37.49	3	2	1	37	252.353	5	↓ MOL2 SDF SMILES Flexibase

70306614

Analogs

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Popular Name: (1S)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(2-fluorophenyl)ethanol (1S)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.14	6.03	-37.65	3	2	1	37	252.353	5	↓ MOL2 SDF SMILES Flexibase

70306615

Analogs

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Popular Name: (1R)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(2,5-dimethoxyphenyl)ethanol (1R)-2-[[(1S)-1-cyclopentylethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	4.74	-37.37	3	4	1	55	294.415	7	↓ MOL2 SDF SMILES Flexibase

70306616

Analogs

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Popular Name: (1R)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(2,5-dimethoxyphenyl)ethanol (1R)-2-[[(1R)-1-cyclopentylethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	4.69	-37.49	3	4	1	55	294.415	7	↓ MOL2 SDF SMILES Flexibase

70306617

Analogs

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Popular Name: (1S)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(2,5-dimethoxyphenyl)ethanol (1S)-2-[[(1S)-1-cyclopentylethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	4.69	-37.36	3	4	1	55	294.415	7	↓ MOL2 SDF SMILES Flexibase

70306618

Analogs

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Popular Name: (1S)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(2,5-dimethoxyphenyl)ethanol (1S)-2-[[(1R)-1-cyclopentylethyl…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	4.65	-37.53	3	4	1	55	294.415	7	↓ MOL2 SDF SMILES Flexibase

70306619

Analogs

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Popular Name: (1S)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(2-methoxy-5-methyl-phenyl)ethanol (1S)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.46	6.08	-36.42	3	3	1	46	278.416	6	↓ MOL2 SDF SMILES Flexibase

70306620

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(2-methoxy-5-methyl-phenyl)ethanol (1R)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.46	6.12	-36.53	3	3	1	46	278.416	6	↓ MOL2 SDF SMILES Flexibase

70306621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(2-methoxy-5-methyl-phenyl)ethanol (1S)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.46	6.02	-36.58	3	3	1	46	278.416	6	↓ MOL2 SDF SMILES Flexibase

70306622

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(2-methoxy-5-methyl-phenyl)ethanol (1R)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.46	6.08	-36.59	3	3	1	46	278.416	6	↓ MOL2 SDF SMILES Flexibase

70306711

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1S)-1-cyclopentylethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol (1R)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.92	7.06	-45.41	3	2	1	37	302.36	6	↓ MOL2 SDF SMILES Flexibase

70306712

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1R)-1-cyclopentylethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol (1R)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.92	7.01	-45.56	3	2	1	37	302.36	6	↓ MOL2 SDF SMILES Flexibase

70306713

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1S)-1-cyclopentylethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol (1S)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.92	7	-45.53	3	2	1	37	302.36	6	↓ MOL2 SDF SMILES Flexibase

70306714

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1R)-1-cyclopentylethyl]amino]-1-[4-(trifluoromethyl)phenyl]ethanol (1S)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.92	6.94	-45.52	3	2	1	37	302.36	6	↓ MOL2 SDF SMILES Flexibase

70306715

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(2,4-difluorophenyl)ethanol (1R)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.28	6.19	-41.73	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase

70306716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(2,4-difluorophenyl)ethanol (1R)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.28	6.14	-41.67	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase

70306717

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(2,4-difluorophenyl)ethanol (1S)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.28	6.14	-41.46	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase

70306718

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(2,4-difluorophenyl)ethanol (1S)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.28	6.09	-41.73	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase

70306719

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(2,5-difluorophenyl)ethanol (1R)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.28	6.19	-39.5	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.28	4.99	-3.47	2	2	0	32	269.335	5	↓ MOL2 SDF SMILES Flexibase

70306720

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(2,5-difluorophenyl)ethanol (1R)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.28	6.14	-39.51	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.28	5.04	-3.34	2	2	0	32	269.335	5	↓ MOL2 SDF SMILES Flexibase

70306721

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(2,5-difluorophenyl)ethanol (1S)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.28	6.14	-39.35	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.28	4.88	-3.26	2	2	0	32	269.335	5	↓ MOL2 SDF SMILES Flexibase

70306722

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(2,5-difluorophenyl)ethanol (1S)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.28	6.09	-39.58	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.28	4.92	-3.16	2	2	0	32	269.335	5	↓ MOL2 SDF SMILES Flexibase

70306723

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol (1R)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.28	6.18	-48.27	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.28	4.98	-5.43	2	2	0	32	269.335	5	↓ MOL2 SDF SMILES Flexibase

70306724

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1R)-2-[[(1R)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol (1R)-2-[[(1R)-1-cyclopentylethyl…

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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)	3.28	6.13	-48.41	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.28	5.03	-5.3	2	2	0	32	269.335	5	↓ MOL2 SDF SMILES Flexibase

70306725

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (1S)-2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol (1S)-2-[[(1S)-1-cyclopentylethyl…

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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)	3.28	6.12	-48.51	3	2	1	37	270.343	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.28	4.85	-5.4	2	2	0	32	269.335	5	↓ MOL2 SDF SMILES Flexibase

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SQL Query Was

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