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19989537

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclopentyl-2-[[5-[(1R)-1-(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)	4.29	10.73	-13.95	1	6	0	69	420.554	9	↓ MOL2 SDF SMILES Flexibase

19989541

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclopentyl-2-[[5-[(1S)-1-(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)	4.29	11.01	-14.24	1	6	0	69	420.554	9	↓ MOL2 SDF SMILES Flexibase

19989666

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]prop (2S)-N-cyclopentyl-2-[[5-[(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)	4.65	11.51	-13.57	1	6	0	69	434.581	9	↓ MOL2 SDF SMILES Flexibase

19989671

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]prop (2R)-N-cyclopentyl-2-[[5-[(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)	4.65	11.51	-13.69	1	6	0	69	434.581	9	↓ MOL2 SDF SMILES Flexibase

19989676

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]prop (2S)-N-cyclopentyl-2-[[5-[(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)	4.65	11.48	-13.45	1	6	0	69	434.581	9	↓ MOL2 SDF SMILES Flexibase

19989680

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]prop (2R)-N-cyclopentyl-2-[[5-[(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)	4.65	11.47	-13.42	1	6	0	69	434.581	9	↓ MOL2 SDF SMILES Flexibase

19991035

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetamid N-cyclopentyl-2-[[5-[(1R)-1-(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)	3.91	10.13	-14.38	1	6	0	69	406.527	8	↓ MOL2 SDF SMILES Flexibase

19991040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetamid N-cyclopentyl-2-[[5-[(1S)-1-(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)	3.91	10.13	-14.5	1	6	0	69	406.527	8	↓ MOL2 SDF SMILES Flexibase

19991171

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]pro (2S)-N-cyclopentyl-2-[[5-[(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)	4.27	10.8	-13.92	1	6	0	69	420.554	8	↓ MOL2 SDF SMILES Flexibase

19991176

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]pro (2R)-N-cyclopentyl-2-[[5-[(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)	4.27	10.81	-13.97	1	6	0	69	420.554	8	↓ MOL2 SDF SMILES Flexibase

19991181

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]pro (2S)-N-cyclopentyl-2-[[5-[(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)	4.27	10.8	-14.04	1	6	0	69	420.554	8	↓ MOL2 SDF SMILES Flexibase

19991187

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]pro (2R)-N-cyclopentyl-2-[[5-[(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)	4.27	10.81	-13.91	1	6	0	69	420.554	8	↓ MOL2 SDF SMILES Flexibase

19992482

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclopentyl-2-[[5-[(1S)-1-(2-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	8.86	-19.58	1	7	0	78	390.509	8	↓ MOL2 SDF SMILES Flexibase

19992485

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclopentyl-2-[[5-[(1R)-1-(2-m…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.62	8.86	-19.52	1	7	0	78	390.509	8	↓ MOL2 SDF SMILES Flexibase

19992579

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propa (2S)-N-cyclopentyl-2-[[5-[(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)	2.98	9.56	-19.21	1	7	0	78	404.536	8	↓ MOL2 SDF SMILES Flexibase

19992582

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propa (2S)-N-cyclopentyl-2-[[5-[(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)	2.98	9.56	-19.06	1	7	0	78	404.536	8	↓ MOL2 SDF SMILES Flexibase

19992585

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propa (2R)-N-cyclopentyl-2-[[5-[(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)	2.98	9.56	-19.03	1	7	0	78	404.536	8	↓ MOL2 SDF SMILES Flexibase

19992588

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propa (2R)-N-cyclopentyl-2-[[5-[(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)	2.98	9.56	-19.23	1	7	0	78	404.536	8	↓ MOL2 SDF SMILES Flexibase

19993791

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[4-ethyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclopentyl-2-[[4-ethyl-5-[(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)	2.99	9.64	-19.11	1	7	0	78	404.536	9	↓ MOL2 SDF SMILES Flexibase

19993793

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[4-ethyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclopentyl-2-[[4-ethyl-5-[(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)	2.99	9.74	-19.12	1	7	0	78	404.536	9	↓ MOL2 SDF SMILES Flexibase

19993859

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[4-ethyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propan (2S)-N-cyclopentyl-2-[[4-ethyl-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)	3.36	10.45	-18.79	1	7	0	78	418.563	9	↓ MOL2 SDF SMILES Flexibase

19993861

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[4-ethyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propan (2R)-N-cyclopentyl-2-[[4-ethyl-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)	3.36	10.45	-18.97	1	7	0	78	418.563	9	↓ MOL2 SDF SMILES Flexibase

19993863

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[4-ethyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propan (2S)-N-cyclopentyl-2-[[4-ethyl-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)	3.36	10.44	-18.79	1	7	0	78	418.563	9	↓ MOL2 SDF SMILES Flexibase

19993865

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[4-ethyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propan (2R)-N-cyclopentyl-2-[[4-ethyl-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)	3.36	10.44	-18.66	1	7	0	78	418.563	9	↓ MOL2 SDF SMILES Flexibase

19995136

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-allyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide 2-[[4-allyl-5-[(1S)-1-(2-methoxy…

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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)	3.26	10.3	-18.49	1	7	0	78	416.547	10	↓ MOL2 SDF SMILES Flexibase

19995139

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-allyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-acetamide 2-[[4-allyl-5-[(1R)-1-(2-methoxy…

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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)	3.26	10.2	-19.15	1	7	0	78	416.547	10	↓ MOL2 SDF SMILES Flexibase

19995245

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-allyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propa (2S)-2-[[4-allyl-5-[(1S)-1-(2-me…

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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)	3.62	11.01	-18.17	1	7	0	78	430.574	10	↓ MOL2 SDF SMILES Flexibase

19995248

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-allyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propa (2S)-2-[[4-allyl-5-[(1R)-1-(2-me…

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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)	3.62	11.02	-18.14	1	7	0	78	430.574	10	↓ MOL2 SDF SMILES Flexibase

19995252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-allyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propa (2R)-2-[[4-allyl-5-[(1S)-1-(2-me…

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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)	3.62	11.01	-18	1	7	0	78	430.574	10	↓ MOL2 SDF SMILES Flexibase

19995255

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-allyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopentyl-propa (2R)-2-[[4-allyl-5-[(1R)-1-(2-me…

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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)	3.62	11	-18.17	1	7	0	78	430.574	10	↓ MOL2 SDF SMILES Flexibase

19997764

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[4-isobutyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamid N-cyclopentyl-2-[[4-isobutyl-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)	3.74	10.62	-17.42	1	7	0	78	432.59	10	↓ MOL2 SDF SMILES Flexibase

19997769

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[4-isobutyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamid N-cyclopentyl-2-[[4-isobutyl-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)	3.74	10.65	-17.58	1	7	0	78	432.59	10	↓ MOL2 SDF SMILES Flexibase

19997875

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[4-isobutyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pro (2S)-N-cyclopentyl-2-[[4-isobuty…

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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)	4.10	11.3	-16.91	1	7	0	78	446.617	10	↓ MOL2 SDF SMILES Flexibase

19997880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[4-isobutyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pro (2S)-N-cyclopentyl-2-[[4-isobuty…

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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)	4.10	11.34	-17.02	1	7	0	78	446.617	10	↓ MOL2 SDF SMILES Flexibase

19997885

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[4-isobutyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pro (2R)-N-cyclopentyl-2-[[4-isobuty…

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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)	4.10	11.3	-16.82	1	7	0	78	446.617	10	↓ MOL2 SDF SMILES Flexibase

19997889

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[4-isobutyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pro (2R)-N-cyclopentyl-2-[[4-isobuty…

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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)	4.10	11.33	-17.21	1	7	0	78	446.617	10	↓ MOL2 SDF SMILES Flexibase

19998891

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[4-isopropyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetami N-cyclopentyl-2-[[4-isopropyl-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)	3.36	9.95	-18.07	1	7	0	78	418.563	9	↓ MOL2 SDF SMILES Flexibase

19998893

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[4-isopropyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetami N-cyclopentyl-2-[[4-isopropyl-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)	3.36	9.95	-17.92	1	7	0	78	418.563	9	↓ MOL2 SDF SMILES Flexibase

19998962

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[4-isopropyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pr (2S)-N-cyclopentyl-2-[[4-isoprop…

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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)	3.72	10.63	-17.53	1	7	0	78	432.59	9	↓ MOL2 SDF SMILES Flexibase

19998964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[4-isopropyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pr (2S)-N-cyclopentyl-2-[[4-isoprop…

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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)	3.72	10.63	-17.45	1	7	0	78	432.59	9	↓ MOL2 SDF SMILES Flexibase

19998967

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[4-isopropyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pr (2R)-N-cyclopentyl-2-[[4-isoprop…

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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)	3.72	10.63	-17.35	1	7	0	78	432.59	9	↓ MOL2 SDF SMILES Flexibase

19998969

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[4-isopropyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]pr (2R)-N-cyclopentyl-2-[[4-isoprop…

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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)	3.72	10.63	-17.56	1	7	0	78	432.59	9	↓ MOL2 SDF SMILES Flexibase

19999970

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclopentyl-2-[[5-[(1S)-1-(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)	3.04	8.27	-16.15	1	7	0	78	390.509	8	↓ MOL2 SDF SMILES Flexibase

19999974

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclopentyl-2-[[5-[(1R)-1-(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)	3.04	8.17	-18.76	1	7	0	78	390.509	8	↓ MOL2 SDF SMILES Flexibase

20000079

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propa (2S)-N-cyclopentyl-2-[[5-[(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)	3.40	8.98	-15.79	1	7	0	78	404.536	8	↓ MOL2 SDF SMILES Flexibase

20000083

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclopentyl-2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propa (2S)-N-cyclopentyl-2-[[5-[(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)	3.40	8.97	-18.21	1	7	0	78	404.536	8	↓ MOL2 SDF SMILES Flexibase

20000086

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[5-[(1S)-1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propa (2R)-N-cyclopentyl-2-[[5-[(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)	3.40	8.97	-15.73	1	7	0	78	404.536	8	↓ MOL2 SDF SMILES Flexibase

20000089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclopentyl-2-[[5-[(1R)-1-(3-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propa (2R)-N-cyclopentyl-2-[[5-[(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)	3.40	8.97	-18.41	1	7	0	78	404.536	8	↓ MOL2 SDF SMILES Flexibase

20001385

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[4-ethyl-5-[(1R)-1-(3-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclopentyl-2-[[4-ethyl-5-[(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)	3.41	9.04	-18.37	1	7	0	78	404.536	9	↓ MOL2 SDF SMILES Flexibase

20001389

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-[[4-ethyl-5-[(1S)-1-(3-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclopentyl-2-[[4-ethyl-5-[(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)	3.41	9.05	-18.5	1	7	0	78	404.536	9	↓ MOL2 SDF SMILES Flexibase

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