ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

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ZINC Item

Suppliers, Protomers, & Similar Substances

121480

Analogs

582127
4247061
40162589
43191247

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Popular Name: Triclocarban Triclocarban

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Vendors

And 22 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	13	0.58	Binding ≤ 10μM
P95276-1-B	Epoxide Hydrolase (cluster #1 Of 2), Bacterial	Bacteria	220	0.49	Binding ≤ 10μM

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)	5.11	7.19	-8.4	2	3	0	41	315.587	2	↓ MOL2 SDF SMILES Flexibase

367971

Analogs

45799

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And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	251	0.39	Binding ≤ 10μM

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)	1.96	5.17	-16.44	2	6	0	71	325.368	3	↓ MOL2 SDF SMILES Flexibase

2212042

Analogs

5944664

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And 5 More

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	18	0.43	Binding ≤ 10μM

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)	2.63	5.66	-13.16	2	6	0	71	359.813	3	↓ MOL2 SDF SMILES Flexibase

12404136

Analogs

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Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

Popular Name:

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	49	0.41	Binding ≤ 10μM

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)	2.61	-3.29	-20.59	2	6	0	71	359.813	3	↓ MOL2 SDF SMILES Flexibase

48926256

Analogs

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Popular Name: DNC011227 DNC011227

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Vendors

Otava (Virtual)
- 3432967

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	49	0.51	Binding ≤ 10μM

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)	2.07	5.2	-15.76	2	5	0	61	275.352	3	↓ MOL2 SDF SMILES Flexibase

64549534

Analogs

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Vendors

Otava (Virtual)
- 4661422

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	23	0.51	Binding ≤ 10μM

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)	2.74	5.71	-15.4	2	5	0	61	309.797	3	↓ MOL2 SDF SMILES Flexibase

64539912

Analogs

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Vendors

Otava (Virtual)
- 4661423

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.54	Binding ≤ 10μM

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)	2.72	5.68	-16.82	2	5	0	61	309.797	3	↓ MOL2 SDF SMILES Flexibase

40526006

Analogs

41670886
43278644

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	98	0.43	Binding ≤ 10μM

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)	2.12	5.42	-16.35	2	5	0	61	329.322	3	↓ MOL2 SDF SMILES Flexibase

72114962

Analogs

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Vendors

Otava (Virtual)
- 9005805

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM

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)	5.44	9.2	-6.58	2	3	0	41	332.875	3	↓ MOL2 SDF SMILES Flexibase

43467997

Analogs

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Vendors

Otava (Virtual)
- 9031326

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM

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)	4.72	7.3	-5.91	2	3	0	41	324.346	2	↓ MOL2 SDF SMILES Flexibase

72114615

Analogs

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Vendors

Otava (Virtual)
- 9006088

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM

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)	4.73	8.33	-5.76	2	3	0	41	338.373	3	↓ MOL2 SDF SMILES Flexibase

19074909

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1	0.66	Binding ≤ 10μM

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)	3.70	5.79	-6.36	2	3	0	41	272.27	2	↓ MOL2 SDF SMILES Flexibase

43234041

Analogs

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Vendors

Otava (Virtual)
- 4568373

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	56	0.56	Binding ≤ 10μM

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)	3.19	5.26	-6.25	2	3	0	41	258.243	2	↓ MOL2 SDF SMILES Flexibase

48469054

Analogs

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Vendors

Otava (Virtual)
- 9039316

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	17	0.54	Binding ≤ 10μM

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)	4.04	7.02	-8.1	2	3	0	41	292.741	3	↓ MOL2 SDF SMILES Flexibase

10277834

Analogs

4583367
8561742

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	7	0.41	Binding ≤ 10μM

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)	6.56	-0.1	-10.12	2	5	0	59	384.52	10	↓ MOL2 SDF SMILES Flexibase

395455

Analogs

36880174
36880955

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Popular Name: DNC005564 DNC005564

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Vendors

And 10 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	710	0.48	Binding ≤ 10μM

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	4.82	-12.96	2	4	0	50	248.326	3	↓ MOL2 SDF SMILES Flexibase

201053

Analogs

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Popular Name:

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Vendors

And 11 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	70	0.59	Binding ≤ 10μM

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)	4.01	6.1	-9.99	2	3	0	41	252.745	2	↓ MOL2 SDF SMILES Flexibase

13644475

Analogs

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Popular Name: DNC005563 DNC005563

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Vendors

Otava (Virtual)
- 5447861

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	580	0.51	Binding ≤ 10μM

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)	4.51	7.96	-9	1	2	0	29	251.757	3	↓ MOL2 SDF SMILES Flexibase

451523

Analogs

25539755
25539761
36889658
36889660

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Popular Name: DNC005565 DNC005565

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	150	0.53	Binding ≤ 10μM

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	6.71	-10.36	1	3	0	38	247.338	4	↓ MOL2 SDF SMILES Flexibase

12416741

Analogs

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And 50 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	390	0.56	Binding ≤ 10μM
P95276-1-B	Epoxide Hydrolase (cluster #1 Of 2), Bacterial	Bacteria	19	0.68	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	5.69	-9.89	2	3	0	41	212.252	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.77	3.39	-5.14	2	3	0	45	212.252	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.77	4.42	-28.21	3	3	1	46	213.26	3	↓ MOL2 SDF SMILES Flexibase

65313

Analogs

36880952

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Popular Name: Carbanilide Carbanilide

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Vendors

And 19 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	760	0.54	Binding ≤ 10μM

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)	3.35	5.54	-8.86	2	3	0	41	218.3	2	↓ MOL2 SDF SMILES Flexibase

5676460

Analogs

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Popular Name: DNC009111 DNC009111

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	8544	0.32	Binding ≤ 10μM

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)	4.38	-2.33	-7.97	2	4	0	50	300.402	3	↓ MOL2 SDF SMILES Flexibase

8157654

Analogs

39892047
4890720

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Popular Name: DNC009113 DNC009113

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Vendors

Otava (Virtual)
- 8998780

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	14	0.50	Binding ≤ 10μM

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	-2.45	-9.61	2	4	0	50	300.402	3	↓ MOL2 SDF SMILES Flexibase

40917285

Analogs

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Popular Name: DNC009108 DNC009108

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Vendors

Otava (Virtual)
- 9007273

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	139	0.46	Binding ≤ 10μM

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	4.34	-7.92	3	4	0	61	286.375	2	↓ MOL2 SDF SMILES Flexibase

20257503

Analogs

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Popular Name: DNC009109 DNC009109

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	28	0.50	Binding ≤ 10μM

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)	3.87	4.15	-14.05	3	4	0	61	286.375	2	↓ MOL2 SDF SMILES Flexibase

20257492

Analogs

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Popular Name: DNC009110 DNC009110

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	24	0.51	Binding ≤ 10μM

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	4.16	-13.99	3	4	0	61	286.375	2	↓ MOL2 SDF SMILES Flexibase

40918678

Analogs

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Popular Name: DNC009116 DNC009116

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Vendors

Otava (Virtual)
- 9035543

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	392	0.37	Binding ≤ 10μM

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)	3.80	8.41	-51.67	2	5	-1	81	327.404	4	↓ MOL2 SDF SMILES Flexibase

40915824

Analogs

43437727

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Popular Name: DNC009114 DNC009114

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Vendors

Otava (Virtual)
- 9035421

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	365	0.39	Binding ≤ 10μM

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	7.64	-66.79	2	5	-1	81	313.377	3	↓ MOL2 SDF SMILES Flexibase

40915826

Analogs

43437783

Draw Identity 99% 90% 80% 70%

Popular Name: DNC009115 DNC009115

Find On: PubMed — Wikipedia — Google

Vendors

Otava (Virtual)
- 9035431

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	1411	0.36	Binding ≤ 10μM

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	7.62	-55.78	2	5	-1	81	313.377	3	↓ MOL2 SDF SMILES Flexibase

40917327

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Vendors

Innovapharm
- STT-00091066
Otava (Virtual)
- 9035592

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	4	0.49	Binding ≤ 10μM

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)	4.54	7.73	-10.34	2	5	0	67	328.412	4	↓ MOL2 SDF SMILES Flexibase

6645734

Analogs

16605662
43466573

Draw Identity 99% 90% 80% 70%

Popular Name: DNC009107 DNC009107

Find On: PubMed — Wikipedia — Google

Vendors

And 6 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	17	0.54	Binding ≤ 10μM

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)	4.37	7.07	-8.31	2	3	0	41	270.376	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.00	5.2	-5.91	2	3	0	45	270.376	3	↓ MOL2 SDF SMILES Flexibase

8167942

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: DNC009112 DNC009112

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	5	0.53	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.40	-2.44	-8.45	2	4	0	50	300.402	3	↓ MOL2 SDF SMILES Flexibase

451519

Analogs

39371077

Draw Identity 99% 90% 80% 70%

Popular Name: DNC005568 DNC005568

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Vendors

And 3 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	3700	0.48	Binding ≤ 10μM

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	0.12	-7.82	1	2	0	29	217.312	3	↓ MOL2 SDF SMILES Flexibase

3102859

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 2 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
HYES-1-E	Epoxide Hydrolase 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	560	0.51	Binding ≤ 10μM

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)	3.78	-0.75	-8.9	1	2	0	29	251.757	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = HYES-1-E
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

SELECT DISTINCT(ci.sub_id_fk) AS sub_id FROM catalog_item AS ci INNER JOIN catalog AS c ON ci.cat_id_fk=c.cat_id INNER JOIN activity AS ac ON ci.sub_id_fk=ac.sub_id_fk INNER JOIN target AS t ON ac.target_fk=t.target_id  WHERE c.free = 1 AND t.code LIKE 'HYES-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=HYES-1-E&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "HYES-1-E",        
        "target.type": "B10"        

    });
</script>