ZINC 12

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Quick Search ZINC ID or SMILES

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ZINC Item

Suppliers, Protomers, & Similar Substances

36145511

Analogs

36145512
36145515
36145517
36145682
36145683

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-isopropoxy-3-[4-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino (2R)-1-isopropoxy-3-[4-[3-(2-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)	3.95	4.67	-13.6	2	8	0	91	494.514	13	↓ MOL2 SDF SMILES Flexibase

36145512

Analogs

36145515
36145517
36145682
36145683
36145688

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-isopropoxy-3-[4-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino (2S)-1-isopropoxy-3-[4-[3-(2-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)	3.95	4.74	-13.5	2	8	0	91	494.514	13	↓ MOL2 SDF SMILES Flexibase

36145513

Analogs

36145514
36145684
36145685

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-isobutoxy-3-[4-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino] (2R)-1-isobutoxy-3-[4-[3-(2-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)	4.33	5.42	-13.41	2	8	0	91	508.541	14	↓ MOL2 SDF SMILES Flexibase

36145514

Analogs

36145684
36145685
36145513

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-isobutoxy-3-[4-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino] (2S)-1-isobutoxy-3-[4-[3-(2-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)	4.33	5.49	-13.34	2	8	0	91	508.541	14	↓ MOL2 SDF SMILES Flexibase

36145515

Analogs

36145517
36145682
36145683
36145688
36145689

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[4-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilin (2R)-1-tert-butoxy-3-[4-[3-(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)	4.39	5.05	-13.38	2	8	0	91	508.541	13	↓ MOL2 SDF SMILES Flexibase

36145517

Analogs

36145682
36145683
36145688
36145689
36145511

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[4-[3-(2-methoxyethoxy)-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilin (2S)-1-tert-butoxy-3-[4-[3-(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)	4.39	5.12	-13.34	2	8	0	91	508.541	13	↓ MOL2 SDF SMILES Flexibase

36145522

Analogs

36145523
36145570
36145571

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-ol (2S)-1-[4-[3-(2-ethoxyethoxy)-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)	4.26	6.13	-14.84	2	8	0	91	468.598	14	↓ MOL2 SDF SMILES Flexibase

36145523

Analogs

36145570
36145571
36145522

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-ol (2R)-1-[4-[3-(2-ethoxyethoxy)-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)	4.26	6.06	-14.88	2	8	0	91	468.598	14	↓ MOL2 SDF SMILES Flexibase

36145524

Analogs

36145525
36145542
36145543
35742754
35742755

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[4-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-tert-butoxy-3-[4-[3-(2-et…

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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)	4.32	5.77	-14.78	2	8	0	91	468.598	13	↓ MOL2 SDF SMILES Flexibase

36145525

Analogs

36145542
36145543
35742754
35742755
35742777

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[4-[3-(2-ethoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-tert-butoxy-3-[4-[3-(2-et…

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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)	4.32	5.7	-14.9	2	8	0	91	468.598	13	↓ MOL2 SDF SMILES Flexibase

36145530

Analogs

36145531

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[5-(2-fluorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-ol (2R)-1-[4-[5-(2-fluorophenyl)-3-…

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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)	4.78	6.82	-16.08	2	7	0	81	456.562	12	↓ MOL2 SDF SMILES Flexibase

36145531

Analogs

36145530

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[5-(2-fluorophenyl)-3-isobutoxy-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-ol (2S)-1-[4-[5-(2-fluorophenyl)-3-…

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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)	4.78	6.89	-15.89	2	7	0	81	456.562	12	↓ MOL2 SDF SMILES Flexibase

36145542

Analogs

36145543
35742754
35742755
35742777
35742778

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-isopropoxy-3-[4-[3-(2-methoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-isopropoxy-3-[4-[3-(2-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)	3.50	4.41	-14.97	2	8	0	91	440.544	12	↓ MOL2 SDF SMILES Flexibase

36145543

Analogs

35742754
35742755
35742777
35742778
35742779

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-isopropoxy-3-[4-[3-(2-methoxyethoxy)-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-isopropoxy-3-[4-[3-(2-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)	3.50	4.34	-15.02	2	8	0	91	440.544	12	↓ MOL2 SDF SMILES Flexibase

36145550

Analogs

36145551

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[5-(3-fluorophenyl)-3-isopropoxy-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-ol (2R)-1-[4-[5-(3-fluorophenyl)-3-…

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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)	4.43	6.17	-13.1	2	7	0	81	442.535	11	↓ MOL2 SDF SMILES Flexibase

36145551

Analogs

36145550

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[5-(3-fluorophenyl)-3-isopropoxy-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-ol (2S)-1-[4-[5-(3-fluorophenyl)-3-…

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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)	4.43	6.24	-12.91	2	7	0	81	442.535	11	↓ MOL2 SDF SMILES Flexibase

36145554

Analogs

36145555

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[3-[5-(3-fluorophenyl)-3-isopropoxy-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-tert-butoxy-3-[3-[5-(3-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)	4.68	5.88	-14.61	2	7	0	81	442.535	10	↓ MOL2 SDF SMILES Flexibase

36145555

Analogs

36145554

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[3-[5-(3-fluorophenyl)-3-isopropoxy-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-tert-butoxy-3-[3-[5-(3-fl…

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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)	4.68	5.81	-14.75	2	7	0	81	442.535	10	↓ MOL2 SDF SMILES Flexibase

36145564

Analogs

36145565

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[3-[3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-o (2S)-1-[3-[3-ethoxy-5-[3-(triflu…

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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)	4.98	6.24	-14.92	2	7	0	81	478.515	12	↓ MOL2 SDF SMILES Flexibase

36145565

Analogs

36145564

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3-[3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-o (2R)-1-[3-[3-ethoxy-5-[3-(triflu…

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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)	4.98	6.17	-15.04	2	7	0	81	478.515	12	↓ MOL2 SDF SMILES Flexibase

36145566

Analogs

36145567

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[3-[3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]propan-2- (2S)-1-tert-butoxy-3-[3-[3-ethox…

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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	5.88	-14.97	2	7	0	81	478.515	11	↓ MOL2 SDF SMILES Flexibase

36145567

Analogs

36145566

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[3-[3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]propan-2- (2R)-1-tert-butoxy-3-[3-[3-ethox…

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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	5.81	-15.15	2	7	0	81	478.515	11	↓ MOL2 SDF SMILES Flexibase

36145568

Analogs

36145569
36145570
36145571

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[4-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-tert-butoxy-3-[4-[5-(3,4-…

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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)	5.27	5.87	-11.09	2	7	0	81	479.408	10	↓ MOL2 SDF SMILES Flexibase

36145569

Analogs

36145570
36145571
36145568

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[4-[5-(3,4-dichlorophenyl)-3-ethoxy-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-tert-butoxy-3-[4-[5-(3,4-…

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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)	5.27	5.81	-11.17	2	7	0	81	479.408	10	↓ MOL2 SDF SMILES Flexibase

36145574

Analogs

36145575
35742840
35742841

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-ol (2S)-1-[4-[3-(2-ethoxyethoxy)-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)	4.21	6.62	-14.57	2	8	0	91	468.598	14	↓ MOL2 SDF SMILES Flexibase

36145575

Analogs

35742840
35742841
36145574

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-ol (2R)-1-[4-[3-(2-ethoxyethoxy)-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)	4.21	6.55	-14.7	2	8	0	91	468.598	14	↓ MOL2 SDF SMILES Flexibase

36145576

Analogs

36145577
36145629
36145630
35742844
35742845

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[4-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-tert-butoxy-3-[4-[3-(2-et…

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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)	4.28	6.26	-14.56	2	8	0	91	468.598	13	↓ MOL2 SDF SMILES Flexibase

36145577

Analogs

36145629
36145630
35742844
35742845
36145576

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[4-[3-(2-ethoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-tert-butoxy-3-[4-[3-(2-et…

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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)	4.28	6.19	-14.65	2	8	0	91	468.598	13	↓ MOL2 SDF SMILES Flexibase

36145590

Analogs

36145591

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-o (2S)-1-[4-[3-ethoxy-5-[3-(triflu…

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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)	4.79	6.22	-13.8	2	7	0	81	478.515	12	↓ MOL2 SDF SMILES Flexibase

36145591

Analogs

36145590

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]-3-isobutoxy-propan-2-o (2R)-1-[4-[3-ethoxy-5-[3-(triflu…

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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)	4.79	6.15	-13.82	2	7	0	81	478.515	12	↓ MOL2 SDF SMILES Flexibase

36145592

Analogs

36145593
35742800
35742801

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[4-[3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]propan-2- (2S)-1-tert-butoxy-3-[4-[3-ethox…

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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)	4.86	5.86	-13.79	2	7	0	81	478.515	11	↓ MOL2 SDF SMILES Flexibase

36145593

Analogs

35742800
35742801
36145592

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[4-[3-ethoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]propan-2- (2R)-1-tert-butoxy-3-[4-[3-ethox…

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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)	4.86	5.79	-13.85	2	7	0	81	478.515	11	↓ MOL2 SDF SMILES Flexibase

36145594

Analogs

36145595

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[3-isobutoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]-3-isopropoxy-propan (2S)-1-[4-[3-isobutoxy-5-[3-(tri…

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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	6.97	-13.53	2	7	0	81	492.542	12	↓ MOL2 SDF SMILES Flexibase

36145595

Analogs

36145594

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[3-isobutoxy-5-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]-3-isopropoxy-propan (2R)-1-[4-[3-isobutoxy-5-[3-(tri…

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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	6.9	-13.63	2	7	0	81	492.542	12	↓ MOL2 SDF SMILES Flexibase

36145597

Analogs

36145598
35742810
35742811
35742832
35742833

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[4-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]anilino]propan-2 (2R)-1-tert-butoxy-3-[4-[3-(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)	3.56	3.41	-14.63	2	9	0	100	470.57	13	↓ MOL2 SDF SMILES Flexibase

36145598

Analogs

35742810
35742811
35742832
35742833
36145597

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[4-[3-(2-methoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]anilino]propan-2 (2S)-1-tert-butoxy-3-[4-[3-(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)	3.56	3.48	-14.56	2	9	0	100	470.57	13	↓ MOL2 SDF SMILES Flexibase

36145608

Analogs

36145609

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[4-[3-isobutoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]-3-isopropoxy-propan (2S)-1-[4-[3-isobutoxy-5-[4-(tri…

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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)	5.18	6.97	-11.3	2	7	0	81	492.542	12	↓ MOL2 SDF SMILES Flexibase

36145609

Analogs

36145608

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[4-[3-isobutoxy-5-[4-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]anilino]-3-isopropoxy-propan (2R)-1-[4-[3-isobutoxy-5-[4-(tri…

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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)	5.18	6.9	-11.35	2	7	0	81	492.542	12	↓ MOL2 SDF SMILES Flexibase

36145612

Analogs

36145613
35742822
35742823

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-isopropoxy-3-[4-[3-isopropoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-isopropoxy-3-[4-[3-isopro…

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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)	4.35	6	-13.21	2	7	0	81	424.545	10	↓ MOL2 SDF SMILES Flexibase

36145613

Analogs

35742822
35742823
36145612

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-isopropoxy-3-[4-[3-isopropoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-isopropoxy-3-[4-[3-isopro…

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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)	4.35	5.93	-13.27	2	7	0	81	424.545	10	↓ MOL2 SDF SMILES Flexibase

36145614

Analogs

36145615
36145617
36145618

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-isopropoxy-3-[4-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-isopropoxy-3-[4-[3-methox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	4.19	-13.03	2	7	0	81	396.491	9	↓ MOL2 SDF SMILES Flexibase

36145615

Analogs

36145617
36145618
36145614

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-isopropoxy-3-[4-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-isopropoxy-3-[4-[3-methox…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.61	4.12	-13.12	2	7	0	81	396.491	9	↓ MOL2 SDF SMILES Flexibase

36145617

Analogs

36145618
36145614
36145615

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[4-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-tert-butoxy-3-[4-[3-metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.06	4.58	-12.89	2	7	0	81	410.518	9	↓ MOL2 SDF SMILES Flexibase

36145618

Analogs

36145614
36145615
36145617

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[4-[3-methoxy-5-(p-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-tert-butoxy-3-[4-[3-metho…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.06	4.51	-12.94	2	7	0	81	410.518	9	↓ MOL2 SDF SMILES Flexibase

36145621

Analogs

36145622
36145625
36145626

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-[3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]anilino]-3-isopropoxy-propan-2- (2S)-1-[3-[3-(2-ethoxyethoxy)-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)	3.67	4.06	-16.13	2	9	0	100	470.57	14	↓ MOL2 SDF SMILES Flexibase

36145622

Analogs

36145625
36145626
36145621

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-[3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]anilino]-3-isopropoxy-propan-2- (2R)-1-[3-[3-(2-ethoxyethoxy)-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)	3.67	3.99	-16.22	2	9	0	100	470.57	14	↓ MOL2 SDF SMILES Flexibase

36145625

Analogs

36145626
36145621
36145622

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-tert-butoxy-3-[3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]anilino]propan-2- (2S)-1-tert-butoxy-3-[3-[3-(2-et…

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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)	4.12	4.45	-15.98	2	9	0	100	484.597	14	↓ MOL2 SDF SMILES Flexibase

36145626

Analogs

36145621
36145622
36145625

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-tert-butoxy-3-[3-[3-(2-ethoxyethoxy)-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]anilino]propan-2- (2R)-1-tert-butoxy-3-[3-[3-(2-et…

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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)	4.12	4.38	-16.1	2	9	0	100	484.597	14	↓ MOL2 SDF SMILES Flexibase

36145629

Analogs

36145630
35742844
35742845
36145576
36145577

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-1-isopropoxy-3-[4-[3-(2-methoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2S)-1-isopropoxy-3-[4-[3-(2-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)	3.45	4.91	-14.71	2	8	0	91	440.544	12	↓ MOL2 SDF SMILES Flexibase

36145630

Analogs

35742844
35742845
36145576
36145577
36145629

Draw Identity 99% 90% 80% 70%

Popular Name: (2R)-1-isopropoxy-3-[4-[3-(2-methoxyethoxy)-5-(o-tolyl)-1,2,4-triazol-1-yl]anilino]propan-2-ol (2R)-1-isopropoxy-3-[4-[3-(2-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)	3.45	4.84	-14.82	2	8	0	91	440.544	12	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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filter.purchasability = annotated
page.format = targets
page.num = 1

Structural Results Found: (before additional filtering)

SQL Query Was

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