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ZINC Item

Suppliers, Protomers, & Similar Substances

45412163

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-p (2S)-2-[[4-amino-5-[(4-isopropyl…

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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	-12.88	2	7	0	86	431.606	8	↓ MOL2 SDF SMILES Flexibase

45412165

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-2-[[4-amino-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-methyl-p (2R)-2-[[4-amino-5-[(4-isopropyl…

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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	11.52	-13.03	2	7	0	86	431.606	8	↓ MOL2 SDF SMILES Flexibase

36101863

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.91	12.04	-16.37	1	7	0	78	460.644	10	↓ MOL2 SDF SMILES Flexibase

36101866

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.91	11.64	-16.82	1	7	0	78	460.644	10	↓ MOL2 SDF SMILES Flexibase

36101869

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.52	11.13	-13.92	1	7	0	78	446.617	9	↓ MOL2 SDF SMILES Flexibase

36101872

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.52	10.73	-14.4	1	7	0	78	446.617	9	↓ MOL2 SDF SMILES Flexibase

36101875

Analogs

7871132
7871133

Draw Identity 99% 90% 80% 70%

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

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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	9.96	-15.17	1	7	0	78	418.563	8	↓ MOL2 SDF SMILES Flexibase

36101878

Analogs

7871132
7871133

Draw Identity 99% 90% 80% 70%

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

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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	9.56	-15.61	1	7	0	78	418.563	8	↓ MOL2 SDF SMILES Flexibase

36101880

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-allyl-5-[(1R)-1-(4-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcyclo 2-[[4-allyl-5-[(1R)-1-(4-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)	4.45	11.41	-14.57	1	7	0	78	444.601	10	↓ MOL2 SDF SMILES Flexibase

36101883

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-allyl-5-[(1R)-1-(4-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2R)-2-methylcyclo 2-[[4-allyl-5-[(1R)-1-(4-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)	4.45	11.01	-15.07	1	7	0	78	444.601	10	↓ MOL2 SDF SMILES Flexibase

36101893

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.93	11.79	-14.03	1	7	0	78	460.644	10	↓ MOL2 SDF SMILES Flexibase

36101896

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.93	11.4	-14.48	1	7	0	78	460.644	10	↓ MOL2 SDF SMILES Flexibase

36101900

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.55	11.11	-15.04	1	7	0	78	446.617	9	↓ MOL2 SDF SMILES Flexibase

36101903

Analogs

Draw Identity 99% 90% 80% 70%

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

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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)	4.55	10.72	-15.37	1	7	0	78	446.617	9	↓ MOL2 SDF SMILES Flexibase

19989089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]propa (2S)-N-cyclohexyl-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)	5.16	11.93	-13.44	1	6	0	69	448.608	9	↓ MOL2 SDF SMILES Flexibase

19989094

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]propa (2R)-N-cyclohexyl-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)	5.16	11.94	-13.58	1	6	0	69	448.608	9	↓ MOL2 SDF SMILES Flexibase

19989095

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]propa (2S)-N-cyclohexyl-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)	5.16	12.2	-13.8	1	6	0	69	448.608	9	↓ MOL2 SDF SMILES Flexibase

19989099

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]propa (2R)-N-cyclohexyl-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)	5.16	12.21	-13.58	1	6	0	69	448.608	9	↓ MOL2 SDF SMILES Flexibase

19989304

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclohexyl-2-[[5-[(1R)-1-(4-fl…

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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)	4.80	11.34	-14.21	1	6	0	69	434.581	9	↓ MOL2 SDF SMILES Flexibase

19989307

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclohexyl-2-[[5-[(1S)-1-(4-fl…

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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)	4.80	11.31	-14.09	1	6	0	69	434.581	9	↓ MOL2 SDF SMILES Flexibase

19989545

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyc 2-[[5-[(1R)-1-(4-fluorophenoxy)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)	5.04	12.82	-14.43	1	6	0	69	448.608	9	↓ MOL2 SDF SMILES Flexibase

19989549

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyc 2-[[5-[(1R)-1-(4-fluorophenoxy)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)	5.04	12.38	-15.18	1	6	0	69	448.608	9	↓ MOL2 SDF SMILES Flexibase

19989555

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2R)-2-methylcyc 2-[[5-[(1R)-1-(4-fluorophenoxy)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)	5.04	12.2	-14.82	1	6	0	69	448.608	9	↓ MOL2 SDF SMILES Flexibase

19989559

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isobutyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcyc 2-[[5-[(1R)-1-(4-fluorophenoxy)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)	5.04	12.64	-14.3	1	6	0	69	448.608	9	↓ MOL2 SDF SMILES Flexibase

19990650

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]prop (2S)-N-cyclohexyl-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)	4.77	11.33	-13.98	1	6	0	69	434.581	8	↓ MOL2 SDF SMILES Flexibase

19990652

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]prop (2R)-N-cyclohexyl-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)	4.77	11.33	-14.03	1	6	0	69	434.581	8	↓ MOL2 SDF SMILES Flexibase

19990654

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]prop (2S)-N-cyclohexyl-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)	4.77	11.33	-14.1	1	6	0	69	434.581	8	↓ MOL2 SDF SMILES Flexibase

19990657

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]prop (2R)-N-cyclohexyl-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)	4.77	11.33	-13.97	1	6	0	69	434.581	8	↓ MOL2 SDF SMILES Flexibase

19990814

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclohexyl-2-[[5-[(1R)-1-(4-fl…

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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	10.64	-14.59	1	6	0	69	420.554	8	↓ MOL2 SDF SMILES Flexibase

19990818

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[[5-[(1S)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclohexyl-2-[[5-[(1S)-1-(4-fl…

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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	10.64	-14.58	1	6	0	69	420.554	8	↓ MOL2 SDF SMILES Flexibase

19991045

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcy 2-[[5-[(1R)-1-(4-fluorophenoxy)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)	4.65	11.9	-14.63	1	6	0	69	434.581	8	↓ MOL2 SDF SMILES Flexibase

19991049

Analogs

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Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcy 2-[[5-[(1R)-1-(4-fluorophenoxy)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)	4.65	11.47	-15.32	1	6	0	69	434.581	8	↓ MOL2 SDF SMILES Flexibase

19991053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2R)-2-methylcy 2-[[5-[(1R)-1-(4-fluorophenoxy)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)	4.65	11.47	-15.29	1	6	0	69	434.581	8	↓ MOL2 SDF SMILES Flexibase

19991057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[5-[(1R)-1-(4-fluorophenoxy)ethyl]-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2R)-2-methylcy 2-[[5-[(1R)-1-(4-fluorophenoxy)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)	4.65	11.9	-14.64	1	6	0	69	434.581	8	↓ MOL2 SDF SMILES Flexibase

19992144

Analogs

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Popular Name: (2S)-N-cyclohexyl-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan (2S)-N-cyclohexyl-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)	3.49	10.05	-19.25	1	7	0	78	418.563	8	↓ MOL2 SDF SMILES Flexibase

19992147

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan (2S)-N-cyclohexyl-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)	3.49	10.05	-19.11	1	7	0	78	418.563	8	↓ MOL2 SDF SMILES Flexibase

19992150

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan (2R)-N-cyclohexyl-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)	3.49	10.05	-19.05	1	7	0	78	418.563	8	↓ MOL2 SDF SMILES Flexibase

19992153

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]propan (2R)-N-cyclohexyl-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)	3.49	10.05	-19.23	1	7	0	78	418.563	8	↓ MOL2 SDF SMILES Flexibase

19992309

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[[5-[(1S)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclohexyl-2-[[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)	3.12	9.34	-19.56	1	7	0	78	404.536	8	↓ MOL2 SDF SMILES Flexibase

19992312

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[[5-[(1R)-1-(2-methoxyphenoxy)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclohexyl-2-[[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)	3.12	9.34	-19.54	1	7	0	78	404.536	8	↓ MOL2 SDF SMILES Flexibase

19992491

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	10.6	-18.73	1	7	0	78	418.563	8	↓ MOL2 SDF SMILES Flexibase

19992498

Analogs

Draw Identity 99% 90% 80% 70%

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

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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	10.17	-19.39	1	7	0	78	418.563	8	↓ MOL2 SDF SMILES Flexibase

19993464

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-2-[[4-ethyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propana (2S)-N-cyclohexyl-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)	3.86	10.92	-18.63	1	7	0	78	432.59	9	↓ MOL2 SDF SMILES Flexibase

19993467

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[[4-ethyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propana (2R)-N-cyclohexyl-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)	3.86	10.93	-19	1	7	0	78	432.59	9	↓ MOL2 SDF SMILES Flexibase

19993470

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-N-cyclohexyl-2-[[4-ethyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propana (2S)-N-cyclohexyl-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)	3.86	10.93	-18.82	1	7	0	78	432.59	9	↓ MOL2 SDF SMILES Flexibase

19993473

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-N-cyclohexyl-2-[[4-ethyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]propana (2R)-N-cyclohexyl-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)	3.86	10.93	-18.66	1	7	0	78	432.59	9	↓ MOL2 SDF SMILES Flexibase

19993621

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[[4-ethyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclohexyl-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)	3.50	10.21	-19.09	1	7	0	78	418.563	9	↓ MOL2 SDF SMILES Flexibase

19993624

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclohexyl-2-[[4-ethyl-5-[(1S)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide N-cyclohexyl-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)	3.50	10.22	-19.22	1	7	0	78	418.563	9	↓ MOL2 SDF SMILES Flexibase

19993795

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(1R,2S)-2-methylcyclo 2-[[4-ethyl-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)	3.74	11.52	-18.33	1	7	0	78	432.59	9	↓ MOL2 SDF SMILES Flexibase

19993798

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[4-ethyl-5-[(1R)-1-(2-methoxyphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanyl]-N-[(1S,2S)-2-methylcyclo 2-[[4-ethyl-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)	3.74	11.09	-19.06	1	7	0	78	432.59	9	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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