ZINC 12

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 29640973

• Enamine

  • Z409676128

• Mcule

  • MCULE-5315802604

• Mcule Make-on-demand

  • MCULE-5315802604

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	1440	0.37	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	1000	0.38	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	7.25	-15.14	2	4	0	54	291.354	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.31	7.69	-49.36	3	4	1	55	292.362	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 3581105

• Molport

  • MolPort-004-096-542

• Enamine

  • Z164679900

• Mcule

  • MCULE-2488287866

• ChemMol

  • 97301034

And 1 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	5	0.46	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	5	0.46	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	-0.27	-10.86	2	4	0	54	345.324	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Sigma Aldrich (Building Blocks)

  • P266|SIGMA

• Tocris

  • 1117

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	6400	0.15	Binding ≤ 10μM
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	0	0.00	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.16	13.38	-20.95	3	11	0	166	688.77	12	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 24008631

• Molport

  • MolPort-007-242-619

• Enamine

  • Z192693830

• Mcule

  • MCULE-5895901951

• Ambinter

  • Amb8285358

And 1 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	98	0.45	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	74	0.45	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.18	9.11	-11.77	1	3	0	42	310.784	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.18	9.55	-45.85	2	3	1	43	311.792	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK808275

• eMolecules

  • 45808376

• Molport

  • MolPort-005-287-916

• Life Chemicals

  • F3301-0170

• Mcule

  • MCULE-1921247861

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	400	0.43	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	1500	0.39	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.53	0.19	-10.39	1	3	0	41	274.323	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• AK Scientific

  • X6326

• Ark Pharm Building Blocks

  • AK-57060

• BePharm Building Blocks

  • B216962

• Chembo Pharma

  • KB-01139

• ChemFuture PharmTech

  • CFP2252

And 1 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPA1-1-E	Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #1 Of 5), Eukaryotic	Eukaryotes	6600	0.38	Binding ≤ 10μM
TRPV1-3-E	Vanilloid Receptor (cluster #3 Of 3), Eukaryotic	Eukaryotes	1100	0.44	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.07	5.89	-7.35	2	3	0	49	263.381	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Otava

  • 9036111

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	1220	0.33	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.28	7.8	-41.2	2	5	1	50	351.352	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Sigma Aldrich (Building Blocks)

  • I0909|SIGMA

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	10	0.51	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	127	0.44	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.13	-2.13	-8.42	2	4	0	58	419.303	10	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aldrich CPR

  • S702471|ALDRICH

• TimTec

  • ST50551998

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	22	0.47	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.51	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.21	-3.18	-14.16	3	4	0	61	324.405	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 5792114

• Molport

  • MolPort-002-924-165

• Maybridge

  • SPB02104

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	520	0.34	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.46	-0.44	-7.72	1	3	0	42	405.35	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Molport

  • MolPort-019-828-790

• KeyOrganics

  • BC-0200

• Mcule

  • MCULE-5817768838

• Ambinter

  • Amb21932909

• Mcule Make-on-demand

  • MCULE-5817768838

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	1	0.41	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	1	0.41	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	6.02	12.27	-11.71	1	4	0	51	434.343	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Molport

  • MolPort-009-194-112

• KeyOrganics Bioactives

  • BD-0082

• Selleck Chemicals

  • S7115

• Tractus

  • TRA0152937

• Ambinter

  • Amb10974822

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	1	0.42	Binding ≤ 10μM
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	1	0.42	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.40	8.88	-15.74	1	6	0	77	430.411	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Chembo Pharma

  • KB-47028

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	6	0.44	Binding ≤ 10μM
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	123	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.61	8.08	-16.15	3	5	0	70	348.45	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Chembo Pharma

  • KB-47028

• Ryan Scientific

  • 048-04650

• Ryan Scientific BB

  • 093-61948

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	4	0.45	Binding ≤ 10μM
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	6	0.44	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.61	8.09	-16.13	3	5	0	70	348.45	3	↓ MOL2 SDF SMILES Flexibase

Analogs

23353082

36989855

36989912

Draw Identity 99% 90% 80% 70%

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

Vendors

• eMolecules

  • 1253357

• Molport

  • MolPort-001-496-766

• Alinda

  • IBS-L0037228

• Asinex

  • BAS00631860

• Enamine

  • Z237461286

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	41	0.45	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.68	0.71	-10.39	1	3	0	41	304.393	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.68	0.8	-35.68	2	3	1	43	305.401	3	↓ MOL2 SDF SMILES Flexibase

Analogs

34975424

Draw Identity 99% 90% 80% 70%

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

Vendors

• Specs

  • AO-548/11108002

• Vitas-M

  • STK412338

• eMolecules

  • 2266141

• Molport

  • MolPort-001-615-960

• Alinda

  • IVK/4006172

And 9 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	2700	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	0.15	-8.87	1	3	0	42	226.279	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.67	0.26	-38.23	2	3	1	43	227.287	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STL329914

• eMolecules

  • 4435425

• Molport

  • MolPort-002-564-310

• IBScreen

  • STOCK2S-33354

• Mcule

  • MCULE-9844265532

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	53	0.44	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.84	0.28	-10.71	1	3	0	41	304.393	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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

Vendors

• Vitas-M

  • STK493059

• eMolecules

  • 6175392

• Molport

  • MolPort-003-720-572

• Alinda

  • IVK/0037217

• ChemBridge

  • 9091408

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	626	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.62	0.39	-8.73	1	3	0	41	254.333	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.62	0.5	-38.2	2	3	1	43	255.341	5	↓ MOL2 SDF SMILES Flexibase

Analogs

36989855

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 6178385

• Molport

  • MolPort-003-721-998

• Mcule

  • MCULE-1509884615

• UORSY Make-on-demand

  • PB826007120

• Mcule Make-on-demand

  • MCULE-1509884615

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	60	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.28	0.15	-10.67	1	3	0	41	290.366	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Enamine BB Make on Demand

  • BBV-39264502

• UORSY BB Make-on-demand

  • BBV-39264502

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	6272	0.38	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.69	9.51	-8.71	1	2	0	29	253.345	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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

Vendors

• Vitas-M

  • STK493058

• eMolecules

  • 6178391

• Molport

  • MolPort-003-722-002

• Alinda

  • IVK/0036835

• ChemBridge

  • 9090934

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	700	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.06	0.27	-8.75	1	3	0	41	240.306	4	↓ MOL2 SDF SMILES Flexibase

Analogs

4468952

33845128

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STL372889

• Vitas-M BB

  • BBL027836

• Molport

  • MolPort-001-742-263

• AK Scientific

  • N735

• American Custom Chemicals Corp.

  • HBL0000104

And 42 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PGH1-2-E	Cyclooxygenase-1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	3800	0.34	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	6	0.52	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	40	0.47	Functional ≤ 10μM
TRPV2-1-E	Transient Receptor Potential Cation Channel Subfamily V Member 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	300	0.42	Functional ≤ 10μM
TRPV4-1-E	Transient Receptor Potential Cation Channel Subfamily V Member 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	300	0.42	Functional ≤ 10μM
Z50512-1-O	Cavia Porcellus (cluster #1 Of 7), Other	Other	260	0.42	Functional ≤ 10μM
Z50597-6-O	Rattus Norvegicus (cluster #6 Of 12), Other	Other	300	0.42	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.10	6.6	-9.89	2	4	0	59	305.418	9	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 5770802

• Molport

  • MolPort-002-889-076

• Maybridge

  • BR00007

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	421	0.45	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	900	0.42	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.13	0.51	-8.71	1	3	0	41	268.36	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Otava (Virtual)

  • 5790795

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	7240	0.33	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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.67	6.27	-41.16	2	5	1	50	317.8	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• American Custom Chemicals Corp.

  • API0009562

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	8	0.40	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	9	0.40	Functional ≤ 10μM
TRPV2-1-E	Transient Receptor Potential Cation Channel Subfamily V Member 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	37	0.37	Functional ≤ 10μM
TRPV4-1-E	Transient Receptor Potential Cation Channel Subfamily V Member 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	37	0.37	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.12	7.82	-45.77	2	5	-1	72	422.571	9	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.16	7.88	-45.18	2	5	-1	74	422.571	8	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.12	7.63	-16.83	3	5	0	70	423.579	9	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Active BioPharma

  • 1069

• BOC Sciences BB

  • 138977-28-3

• Cayman Chemical

  • 10007518

• Fluorochem

  • M01458

• Molport BB

  • MolPort-003-845-575

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 3), Eukaryotic	Eukaryotes	74	0.40	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	69	0.40	Functional ≤ 10μM
TRPV2-1-E	Transient Receptor Potential Cation Channel Subfamily V Member 2 (cluster #1 Of 3), Eukaryotic	Eukaryotes	650	0.35	Functional ≤ 10μM
TRPV4-1-E	Transient Receptor Potential Cation Channel Subfamily V Member 4 (cluster #1 Of 3), Eukaryotic	Eukaryotes	650	0.35	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	3981	0.30	Functional ≤ 10μM
Z50597-1-O	Rattus Norvegicus (cluster #1 Of 12), Other	Other	600	0.35	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.93	7.74	-18.05	3	4	0	56	376.909	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• AZEPINE

  • AZ0001-0587

• Molport BB

  • MolPort-003-983-482

• Princeton BioMolecular Research

  • OSSL_790066

• Sigma Aldrich (Building Blocks)

  • SML0355|SIGMA

• Synchem UG and Co KG

  • bc417

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
KCNH2-1-E	HERG (cluster #1 Of 5), Eukaryotic	Eukaryotes	1000	0.32	Binding ≤ 10μM
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	34	0.40	Binding ≤ 10μM
TRPA1-2-E	Transient Receptor Potential Cation Channel Subfamily A Member 1 (cluster #2 Of 6), Eukaryotic	Eukaryotes	4500	0.29	Functional ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.44	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.72	9.65	-12.18	1	5	0	48	372.9	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• American Custom Chemicals Corp.

  • HCH0316575

• Chembo Pharma

  • KB-64732

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
MK03-1-E	MAP Kinase ERK1 (cluster #1 Of 1), Eukaryotic	Eukaryotes	980	0.27	Binding ≤ 10μM
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	3	0.38	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	2	0.39	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.86	11.14	-17.75	1	5	0	64	435.331	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.86	11.6	-34.03	2	5	1	65	436.339	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 5778819

• Molport

  • MolPort-002-912-880

• Maybridge

  • RDR03441

• Maybridge Hit Finder

  • RDR03441

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	390	0.39	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.92	-0.34	-12.5	1	3	0	32	364.458	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Cayman Chemical

  • 390050
  • 90050

• Element Store BB

  • b2star-94421-68-8

• Molport BB

  • MolPort-003-940-012

• Ryan Scientific BB

  • 074-60829

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-3-E	Cannabinoid CB1 Receptor (cluster #3 Of 5), Eukaryotic	Eukaryotes	89	0.39	Binding ≤ 10μM
CNR2-2-E	Cannabinoid CB2 Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	78	0.40	Binding ≤ 10μM
FAAH1-6-E	Anandamide Amidohydrolase (cluster #6 Of 7), Eukaryotic	Eukaryotes	3000	0.31	Binding ≤ 10μM
TRPV1-3-E	Vanilloid Receptor (cluster #3 Of 3), Eukaryotic	Eukaryotes	169	0.38	Binding ≤ 10μM
TRPV1-3-E	Vanilloid Receptor (cluster #3 Of 4), Eukaryotic	Eukaryotes	490	0.35	Functional ≤ 10μM
Z50594-4-O	Mus Musculus (cluster #4 Of 9), Other	Other	53	0.41	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.65	10.06	-9.33	2	3	0	49	347.543	16	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STL253688

• eMolecules

  • 25946712

• Molport

  • MolPort-002-241-091

• ChemBridge

  • 7177256

• Mcule

  • MCULE-9482840649

And 3 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-2-E	Vanilloid Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	440	0.37	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.93	0.28	-17.68	1	7	0	93	326.308	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Active BioPharma

  • 1850

• Cayman Chemical

  • 70665

• Molport BB

  • MolPort-003-983-882

• Sigma Aldrich (Building Blocks)

  • A7357|SIGMA

• Tocris

  • 5309

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FAAH1-6-E	Anandamide Amidohydrolase (cluster #6 Of 7), Eukaryotic	Eukaryotes	8000	0.21	Binding ≤ 10μM
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	270	0.27	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	7.73	14.36	-14.02	3	4	0	65	462.678	17	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Molport

  • MolPort-002-884-710

• Aldrich CPR

  • R371173|ALDRICH

• American Custom Chemicals Corp.

  • CHM0160915

• KeyOrganics

  • JS-1033

• Mcule

  • MCULE-9529709061

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	860	0.34	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.28	0.65	-12.88	1	4	0	47	337.419	5	↓ MOL2 SDF SMILES Flexibase

Analogs

6131214

6579423

Draw Identity 99% 90% 80% 70%

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

Vendors

• Vitas-M

  • STK408716

• eMolecules

  • 25952698

• Molport

  • MolPort-001-542-102

• Alinda

  • IVK/9010646

• ChemBridge

  • 7312503

And 8 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	210	0.42	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.42	0.09	-13.25	1	4	0	47	295.338	3	↓ MOL2 SDF SMILES Flexibase

Analogs

3478794

6259606

Draw Identity 99% 90% 80% 70%

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

Vendors

• Vitas-M

  • STK411591

• eMolecules

  • 25944110

• Molport

  • MolPort-001-621-624

• Alinda

  • IVK/8074393

• ChemBridge

  • 7121622

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	320	0.41	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.65	-0.38	-13.27	1	4	0	47	315.756	3	↓ MOL2 SDF SMILES Flexibase

Analogs

10333219

Draw Identity 99% 90% 80% 70%

Vendors

• Innovapharm Make-on-Demand

  • VT-00440879

• AKOS (make-on-demand)

  • AKOS002993488

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	660	0.35	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.65	0.79	-10.04	1	4	0	47	339.435	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STL113981

• eMolecules

  • 25945526

• Molport

  • MolPort-002-239-720

• ChemBridge

  • 7150274

• Mcule

  • MCULE-8001735936

And 4 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	1000	0.38	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.14	0.5	-13.77	1	4	0	47	299.301	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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

Vendors

• Specs

  • AK-968/12104039

• Vitas-M

  • STK437487

• eMolecules

  • 25952226

• Molport

  • MolPort-001-621-531
  • MolPort-019-756-830

And 8 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	370	0.41	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.78	-0.99	-13.23	1	4	0	47	360.207	3	↓ MOL2 SDF SMILES Flexibase

Analogs

239667

5383817

5903672

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK862596

• eMolecules

  • 26193131

• ChemDiv

  • 4678-0260

• Innovapharm

  • STT-00021645

• Mcule

  • MCULE-9625806350

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	550	0.38	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.18	1.93	-8.42	1	3	0	38	309.409	5	↓ MOL2 SDF SMILES Flexibase

Analogs

315804

Draw Identity 99% 90% 80% 70%

Vendors

• Scientific Exchange (make on demand)

  • Q-046816

• AKOS (make-on-demand)

  • AKOS003866516

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	21	0.47	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.21	1.8	-11.76	1	3	0	38	309.409	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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

Vendors

• Vitas-M

  • STK411592

• eMolecules

  • 26505005

• Alinda

  • IVK/0053634

• ChemDiv

  • 4678-0261

• Innovapharm

  • STT-00021463

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	140	0.42	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.23	1.8	-9.95	1	3	0	38	309.409	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 45515558

• Molport

  • MolPort-005-679-466

• Enamine

  • Z27668299

• Mcule

  • MCULE-9490985206

• Scientific Exchange (make on demand)

  • Q-058944

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	1800	0.35	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.03	-0.2	-14.6	1	5	0	56	311.337	4	↓ MOL2 SDF SMILES Flexibase

Analogs

5856949

5911738

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STL353926

• eMolecules

  • 2436502

• Molport

  • MolPort-002-239-770

• Active BioPharma

  • 1538

• ChemBridge

  • 7151601

And 10 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	93	0.39	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.68	9.16	-12.89	1	4	0	48	337.419	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Cayman Chemical

  • 9000629

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	2570	0.24	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	8.64	13.69	-13.51	3	4	0	65	440.672	18	↓ MOL2 SDF SMILES Flexibase

Analogs

5699902

Draw Identity 99% 90% 80% 70%

Vendors

• Otava (Virtual)

  • 5445667

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	220	0.41	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.43	3.76	-8.23	1	2	0	29	321.342	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 3275247

• Molport

  • MolPort-004-054-215

• Enamine

  • Z29352921

• Mcule

  • MCULE-6270785117

• Ambinter

  • Amb28750

And 1 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	210	0.41	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.22	1.87	-8.32	1	3	0	38	321.298	4	↓ MOL2 SDF SMILES Flexibase

Analogs

3412083

Draw Identity 99% 90% 80% 70%

Vendors

• Fluorochem

  • 340820

• KeyOrganics

  • MS-8777

• Ryan Scientific

  • 096-50333

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	7350	0.29	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.05	0.28	-11.37	2	4	0	54	348.324	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Active BioPharma

  • 2684

• Chembo Pharma

  • KB-274229

• Molport BB

  • MolPort-006-822-716

• Tractus

  • TRA0086896

• ChemMol

  • 97901367

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
TRPV1-1-E	Vanilloid Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	65	0.35	Functional ≤ 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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.23	8	-10.03	1	6	0	61	419.329	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.23	8.66	-90.47	3	6	2	64	421.345	4	↓ MOL2 SDF SMILES Flexibase