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ZINC Item

Suppliers, Protomers, & Similar Substances

6541159

Analogs

3374825

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-cyano-2-ethoxy-phenoxy)-N-cyclopentyl-acetamide 2-(4-cyano-2-ethoxy-phenoxy)-N-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)	2.22	1.12	-16.75	1	5	0	71	288.347	6	↓ MOL2 SDF SMILES Flexibase

35625815

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide (2S)-N-cyclopentyl-2-[2-[(1S)-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)	2.88	6.13	-12.35	2	4	0	59	291.391	6	↓ MOL2 SDF SMILES Flexibase

35625816

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[2-[(1R)-1-hydroxypropyl]phenoxy]propanamide (2S)-N-cyclopentyl-2-[2-[(1R)-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)	2.88	6.13	-12.75	2	4	0	59	291.391	6	↓ MOL2 SDF SMILES Flexibase

35625817

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]propanamide (2R)-N-cyclopentyl-2-[2-[(1S)-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)	2.88	6.1	-12.76	2	4	0	59	291.391	6	↓ MOL2 SDF SMILES Flexibase

35625818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[2-[(1R)-1-hydroxypropyl]phenoxy]propanamide (2R)-N-cyclopentyl-2-[2-[(1R)-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)	2.88	6.1	-12.36	2	4	0	59	291.391	6	↓ MOL2 SDF SMILES Flexibase

35625895

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[2-[(1S)-1-hydroxypropyl]phenoxy]acetamide N-cyclopentyl-2-[2-[(1S)-1-hydro…

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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)	2.52	5.51	-12.44	2	4	0	59	277.364	6	↓ MOL2 SDF SMILES Flexibase

35625896

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[2-[(1R)-1-hydroxypropyl]phenoxy]acetamide N-cyclopentyl-2-[2-[(1R)-1-hydro…

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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)	2.52	5.51	-12.45	2	4	0	59	277.364	6	↓ MOL2 SDF SMILES Flexibase

35626209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopentyl-2-[4-[(1S)-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)	2.43	5.14	-12.26	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35626210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopentyl-2-[4-[(1R)-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)	2.43	5.12	-12.26	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35626211

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[4-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopentyl-2-[4-[(1S)-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)	2.43	5.11	-12.1	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35626212

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[4-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopentyl-2-[4-[(1R)-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)	2.43	5.09	-12.34	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35626885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopentyl-2-[2-[(1S)-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)	2.38	5.21	-12.08	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35626886

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopentyl-2-[2-[(1R)-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)	2.38	5.21	-12.32	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35626887

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopentyl-2-[2-[(1S)-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)	2.38	5.19	-12.34	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35626888

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopentyl-2-[2-[(1R)-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)	2.38	5.18	-12.07	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35627006

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]phenoxy]acetamide N-cyclopentyl-2-[2-[(1S)-1-hydro…

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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	4.6	-12.14	2	4	0	59	263.337	5	↓ MOL2 SDF SMILES Flexibase

35627007

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]phenoxy]acetamide N-cyclopentyl-2-[2-[(1R)-1-hydro…

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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	4.59	-12.16	2	4	0	59	263.337	5	↓ MOL2 SDF SMILES Flexibase

35627362

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[4-[(3S)-3-hydroxybutyl]phenoxy]acetamide N-cyclopentyl-2-[4-[(3S)-3-hydro…

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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	6.06	-12.27	2	4	0	59	291.391	7	↓ MOL2 SDF SMILES Flexibase

35627363

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[4-[(3R)-3-hydroxybutyl]phenoxy]acetamide N-cyclopentyl-2-[4-[(3R)-3-hydro…

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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	6.06	-13.27	2	4	0	59	291.391	7	↓ MOL2 SDF SMILES Flexibase

35627657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopentyl-2-[3-[(1S)-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)	2.40	5.15	-13.14	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35627658

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2S)-N-cyclopentyl-2-[3-[(1R)-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)	2.40	5.12	-12.98	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35627659

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[3-[(1S)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopentyl-2-[3-[(1S)-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)	2.40	5.11	-12.7	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35627660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[3-[(1R)-1-hydroxyethyl]phenoxy]propanamide (2R)-N-cyclopentyl-2-[3-[(1R)-1-…

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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)	2.40	5.08	-12.83	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35628207

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide (2S)-N-cyclopentyl-2-[4-[(1S)-1-…

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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)	2.93	6.07	-12.54	2	4	0	59	291.391	6	↓ MOL2 SDF SMILES Flexibase

35628208

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanamide (2S)-N-cyclopentyl-2-[4-[(1R)-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)	2.93	6.04	-12.69	2	4	0	59	291.391	6	↓ MOL2 SDF SMILES Flexibase

35628209

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[4-[(1S)-1-hydroxypropyl]phenoxy]propanamide (2R)-N-cyclopentyl-2-[4-[(1S)-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)	2.93	6.04	-12.62	2	4	0	59	291.391	6	↓ MOL2 SDF SMILES Flexibase

35628210

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[4-[(1R)-1-hydroxypropyl]phenoxy]propanamide (2R)-N-cyclopentyl-2-[4-[(1R)-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)	2.93	6.02	-12.69	2	4	0	59	291.391	6	↓ MOL2 SDF SMILES Flexibase

35629144

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[2-(N-hydroxy-C-methyl-carbonimidoyl)-4-methyl-phenoxy]acetamide N-cyclopentyl-2-[2-(N-hydroxy-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)	2.84	5.64	-15.24	2	5	0	71	290.363	5	↓ MOL2 SDF SMILES Flexibase

35629354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopentyl-propanamide (2S)-2-[2-[(1R)-1-aminoethyl]-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)	1.11	6.45	-43.55	4	4	1	66	291.415	5	↓ MOL2 SDF SMILES Flexibase

35629355

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopentyl-propanamide (2S)-2-[2-[(1S)-1-aminoethyl]-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)	1.11	6.47	-44.3	4	4	1	66	291.415	5	↓ MOL2 SDF SMILES Flexibase

35629356

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopentyl-propanamide (2R)-2-[2-[(1R)-1-aminoethyl]-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)	1.11	6.43	-44.18	4	4	1	66	291.415	5	↓ MOL2 SDF SMILES Flexibase

35629357

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopentyl-propanamide (2R)-2-[2-[(1S)-1-aminoethyl]-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)	1.11	6.45	-43.78	4	4	1	66	291.415	5	↓ MOL2 SDF SMILES Flexibase

35629388

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1R)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopentyl-acetamide 2-[2-[(1R)-1-aminoethyl]-4-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)	0.74	5.83	-44.4	4	4	1	66	277.388	5	↓ MOL2 SDF SMILES Flexibase

35629389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[2-[(1S)-1-aminoethyl]-4-methyl-phenoxy]-N-cyclopentyl-acetamide 2-[2-[(1S)-1-aminoethyl]-4-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)	0.74	5.85	-44.66	4	4	1	66	277.388	5	↓ MOL2 SDF SMILES Flexibase

35629572

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[4-methyl-2-[(1R)-1-(methylamino)ethyl]phenoxy]acetamide N-cyclopentyl-2-[4-methyl-2-[(1R…

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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	7.65	-39.4	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

35629573

Analogs

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Popular Name: N-cyclopentyl-2-[4-methyl-2-[(1S)-1-(methylamino)ethyl]phenoxy]acetamide N-cyclopentyl-2-[4-methyl-2-[(1S…

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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	7.67	-39.53	3	4	1	55	291.415	6	↓ MOL2 SDF SMILES Flexibase

35629970

Analogs

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Popular Name: (2S)-N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methyl-phenoxy]propanamide (2S)-N-cyclopentyl-2-[2-[(1R)-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)	2.80	5.87	-12.3	2	4	0	59	291.391	5	↓ MOL2 SDF SMILES Flexibase

35629971

Analogs

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Popular Name: (2S)-N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-4-methyl-phenoxy]propanamide (2S)-N-cyclopentyl-2-[2-[(1S)-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)	2.80	5.88	-12.06	2	4	0	59	291.391	5	↓ MOL2 SDF SMILES Flexibase

35629972

Analogs

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Popular Name: (2R)-N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methyl-phenoxy]propanamide (2R)-N-cyclopentyl-2-[2-[(1R)-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)	2.80	5.85	-12.14	2	4	0	59	291.391	5	↓ MOL2 SDF SMILES Flexibase

35629973

Analogs

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Popular Name: (2R)-N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-4-methyl-phenoxy]propanamide (2R)-N-cyclopentyl-2-[2-[(1S)-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)	2.80	5.86	-12.35	2	4	0	59	291.391	5	↓ MOL2 SDF SMILES Flexibase

35630111

Analogs

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Popular Name: N-cyclopentyl-2-[2-[(1R)-1-hydroxyethyl]-4-methyl-phenoxy]acetamide N-cyclopentyl-2-[2-[(1R)-1-hydro…

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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)	2.44	5.36	-12.58	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

35630114

Analogs

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Popular Name: N-cyclopentyl-2-[2-[(1S)-1-hydroxyethyl]-4-methyl-phenoxy]acetamide N-cyclopentyl-2-[2-[(1S)-1-hydro…

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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)	2.44	5.37	-12.39	2	4	0	59	277.364	5	↓ MOL2 SDF SMILES Flexibase

19441101

Analogs

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Popular Name: 2-(4-carbamothioylphenoxy)-N-cyclopentyl-acetamide 2-(4-carbamothioylphenoxy)-N-cyc…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.30	5.48	-27.67	3	4	0	64	278.377	5	↓ MOL2 SDF SMILES Flexibase

13014129

Analogs

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Popular Name: 3-[2-[2-(cyclopentylamino)-2-oxo-ethoxy]phenyl]propanoic 3-[2-[2-(cyclopentylamino)-2-oxo…

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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	7.6	-65.91	1	5	-1	78	290.339	7	↓ MOL2 SDF SMILES Flexibase

13014646

Analogs

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Popular Name: 2,3,5-trichloro-6-[2-(cyclopentylamino)-2-oxo-ethoxy]benzoic 2,3,5-trichloro-6-[2-(cyclopenty…

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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	7.55	-54.89	1	5	-1	78	365.62	5	↓ MOL2 SDF SMILES Flexibase

36969305

Analogs

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Popular Name: 1-[[2-(2-bromo-4-methyl-phenoxy)acetyl]amino]cyclopentanecarboxylic 1-[[2-(2-bromo-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)	1.02	8.32	-64.36	1	5	-1	78	355.208	5	↓ MOL2 SDF SMILES Flexibase

36969321

Analogs

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Popular Name: 1-[[2-(4-bromo-2-chloro-phenoxy)acetyl]amino]cyclopentanecarboxylic 1-[[2-(4-bromo-2-chloro-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)	1.25	8.17	-62.34	1	5	-1	78	375.626	5	↓ MOL2 SDF SMILES Flexibase

36969329

Analogs

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Popular Name: 1-[[(2S)-2-(4-fluorophenoxy)propanoyl]amino]cyclopentanecarboxylic 1-[[(2S)-2-(4-fluorophenoxy)prop…

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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)	0.36	7.65	-61.06	1	5	-1	78	294.302	5	↓ MOL2 SDF SMILES Flexibase

36969331

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[(2R)-2-(4-fluorophenoxy)propanoyl]amino]cyclopentanecarboxylic 1-[[(2R)-2-(4-fluorophenoxy)prop…

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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)	0.36	7.65	-60.93	1	5	-1	78	294.302	5	↓ MOL2 SDF SMILES Flexibase

36969354

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-[[2-(4-bromo-2-fluoro-phenoxy)acetyl]amino]cyclopentanecarboxylic 1-[[2-(4-bromo-2-fluoro-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)	0.74	7.71	-64.54	1	5	-1	78	359.171	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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Structural Results Found: (before additional filtering)

SQL Query Was

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