ZINC 12

Analogs

516776

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • ASKVIRT/33395

• Scientific Exchange (make on demand)

  • R-042204

• TimTec Make-on-Demand

  • OVS20162076

• AKOS (make-on-demand)

  • AKOS003418450

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.21	0.85	-16.82	1	4	0	50	356.491	7	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • RESYN/48184

• Scientific Exchange (make on demand)

  • F-082228

• TimTec Make-on-Demand

  • OVS21273040

• AKOS (make-on-demand)

  • AKOS003496455

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	5.28	1.59	-11.97	1	4	0	47	341.451	8	↓ MOL2 SDF SMILES Flexibase

Analogs

9781889

9781894

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • RESYN/48183

• Scientific Exchange (make on demand)

  • F-082227

• TimTec Make-on-Demand

  • OVS21273039

• AKOS (make-on-demand)

  • AKOS003496454

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.17	0.75	-22.55	1	7	0	84	376.453	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • ASKVIRT/49696

• Scientific Exchange (make on demand)

  • M-077626

• TimTec Make-on-Demand

  • OVS21201295

• AKOS (make-on-demand)

  • AKOS003430312

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.65	-3.7	-22.31	3	8	0	97	395.462	8	↓ MOL2 SDF SMILES Flexibase

Analogs

185668

37045087

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17502

• Specs

  • AN-465/25028003

• Specs Building Blocks

  • AN-465/25028003

• Vitas-M

  • STK345868

• Vitas-M BB

  • BBL000082

And 37 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.14	2.38	-9.22	3	4	0	68	202.213	2	↓ MOL2 SDF SMILES Flexibase

Analogs

2994503

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17499

• TimTec Make-on-Demand

  • OVS21334533

• AKOS (make-on-demand)

  • AKOS000964818

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.80	-4.26	-21.17	4	5	0	57	398.557	12	↓ MOL2 SDF SMILES Flexibase

Analogs

2876469

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17496

• TimTec Make-on-Demand

  • OVS21334531

• AKOS (make-on-demand)

  • AKOS003551033

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.85	-4.36	-21.73	4	4	0	48	382.558	11	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17494

• Vitas-M

  • STK391291

• eMolecules

  • 2346708

• Molport

  • MolPort-002-143-355

• ChemBridge

  • 5305956

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.00	-4.74	-15.78	4	4	0	48	306.46	10	↓ MOL2 SDF SMILES Flexibase

Analogs

3199828

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17493

• Vitas-M

  • STK391290

• eMolecules

  • 2751397

• Molport

  • MolPort-002-324-040

• Mcule

  • MCULE-9086045645

And 4 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.05	-4.88	-19.87	4	4	0	48	306.46	10	↓ MOL2 SDF SMILES Flexibase

Analogs

6788745

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17484

• Vitas-M

  • STK414005

• eMolecules

  • 3995369

• Molport

  • MolPort-001-586-266

• Alinda

  • IVK/4024645

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	-3.11	-18.59	3	5	0	62	307.419	8	↓ MOL2 SDF SMILES Flexibase

Analogs

6788748

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17484

• Vitas-M

  • STK414005

• eMolecules

  • 3995369

• Molport

  • MolPort-001-586-266

• Alinda

  • IVK/4024645

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	-3.11	-18.77	3	5	0	62	307.419	8	↓ 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

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Vendors

• Aronis (Make on Request)

  • SYN2007/17482

• Vitas-M

  • STK414004

• eMolecules

  • 3986895

• Molport

  • MolPort-001-586-071

• Alinda

  • IVK/4024052

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.50	-3.43	-19.12	3	5	0	62	293.392	8	↓ MOL2 SDF SMILES Flexibase

Analogs

7659974

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17481

• Scientific Exchange (make on demand)

  • M-339459

• TimTec Make-on-Demand

  • OVS21334520

• AKOS (make-on-demand)

  • AKOS003551511

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	-3.6	-20.91	3	5	0	62	329.425	8	↓ MOL2 SDF SMILES Flexibase

Analogs

7659976

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17481

• Scientific Exchange (make on demand)

  • M-339459

• TimTec Make-on-Demand

  • OVS21334520

• AKOS (make-on-demand)

  • AKOS003551511

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.24	-3.51	-20.82	3	5	0	62	329.425	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17480

• Specs

  • AG-690/15433433

• eMolecules

  • 1344434

• Molport

  • MolPort-001-965-919

• Asinex

  • BAS01580287

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.88	-2.98	-18.7	3	5	0	62	341.436	9	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17479

• Specs

  • AG-690/15433436

• Molport

  • MolPort-001-965-922

• Asinex

  • BAS01580291

• TimTec

  • ST50254462

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.38	-3.66	-16.61	3	5	0	62	341.436	9	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17477

• Molport

  • MolPort-001-965-917

• Asinex

  • BAS01580285

• TimTec

  • ST51173889

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.16	-3.06	-17.21	3	5	0	62	293.392	9	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17470

• Vitas-M

  • STK396893

• eMolecules

  • 2754326

• Molport

  • MolPort-001-487-407

• ChemBridge

  • 5575920

And 5 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.49	-4.53	-16.16	3	4	0	53	314.208	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17464

• Vitas-M

  • STK151502

• eMolecules

  • 1684306

• Molport

  • MolPort-001-529-488

• Alinda

  • IBS-L0032575

And 11 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.37	-3.49	-17.85	3	6	0	71	295.364	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17463

• Specs

  • AL-281/15328154

• eMolecules

  • 939830

• Molport

  • MolPort-002-820-950

• Mcule

  • MCULE-4552708801

And 4 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.28	-3.14	-17.39	3	5	0	62	265.338	7	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17459

• Scientific Exchange (make on demand)

  • M-342417

• TimTec Make-on-Demand

  • OVS21334506

• AKOS (make-on-demand)

  • AKOS003552588

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.49	-3.51	-20.9	3	5	0	62	341.436	9	↓ MOL2 SDF SMILES Flexibase

Analogs

9814703

9781889

9781894

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • RESYN/48183

• Scientific Exchange (make on demand)

  • F-082227

• TimTec Make-on-Demand

  • OVS21273039

• AKOS (make-on-demand)

  • AKOS003496454

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.17	0.69	-22.51	1	7	0	84	376.453	8	↓ MOL2 SDF SMILES Flexibase

Analogs

6390157

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17455

• eMolecules

  • 9818539

• Innovapharm

  • STT-00136502

• Mcule

  • MCULE-4407588179

• Molport BB

  • MolPort-000-477-314

And 7 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	-2.71	-13.71	3	4	0	53	291.42	7	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17453

• Scientific Exchange (make on demand)

  • R-019660

• TimTec Make-on-Demand

  • OVS21334501

• AKOS (make-on-demand)

  • AKOS003571973

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	-3.99	-18.44	3	4	0	53	299.399	7	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17451

• Vitas-M

  • STK414002

• eMolecules

  • 3986905

• Molport

  • MolPort-001-626-804

• Alinda

  • IVK/4023359

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.61	-3.57	-19.1	3	5	0	62	293.392	9	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17450

• Vitas-M

  • STK414001

• eMolecules

  • 3990542

• Molport

  • MolPort-001-586-633

• Alinda

  • IVK/4028146

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	-4.15	-21.98	3	5	0	62	299.783	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17447

• KeyOrganics

  • MS-10660

• Ryan Scientific

  • 096-48569

• Scientific Exchange (make on demand)

  • M-336794

• TimTec Make-on-Demand

  • ST50950953

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	-3.86	-21.06	3	5	0	62	315.398	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17441

• Vitas-M

  • STK136128

• eMolecules

  • 617331

• Aldrich CPR

  • R264067|ALDRICH

• Alinda

  • IVK/1415563

And 19 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.73	5.22	-14.47	3	4	0	53	235.312	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17436

• Specs

  • AG-690/15433438

• Vitas-M

  • STK413999

• eMolecules

  • 1081258

• Molport

  • MolPort-001-586-428

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.51	6.46	-19.67	3	5	0	62	344.234	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17430

• Molport

  • MolPort-003-878-946

• KeyOrganics

  • MS-6831

• Mcule

  • MCULE-8747342016

• Rare Chemicals

  • BGFA0153

And 4 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.36	-3.06	-17.25	3	7	0	80	325.39	9	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17429

• Scientific Exchange (make on demand)

  • M-348917

• TimTec Make-on-Demand

  • OVS21334486

• AKOS (make-on-demand)

  • AKOS003554378

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	-4.62	-21.41	3	5	0	62	362.282	10	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17425

• Vitas-M

  • STK413998

• eMolecules

  • 939828

• Molport

  • MolPort-001-579-400

• Alinda

  • IVK/1417959

And 7 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.75	-3.81	-19.45	3	5	0	62	313.81	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17421

• Vitas-M

  • STK663755

• eMolecules

  • 6809322

• Molport

  • MolPort-001-565-867

• Alinda

  • IBS-L0039027

And 12 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.10	6.55	-19.11	3	5	0	62	279.365	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17420

• Vitas-M

  • STK402004

• eMolecules

  • 3969221

• Molport

  • MolPort-001-586-020

• Alinda

  • IVK/4024730

And 14 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.82	5.95	-16.84	3	4	0	53	249.339	7	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17418

• Scientific Exchange (make on demand)

  • M-338809

• TimTec Make-on-Demand

  • OVS21334480

• AKOS (make-on-demand)

  • AKOS000960701

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.54	-5.26	-13.63	3	4	0	53	325.846	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17417

• Scientific Exchange (make on demand)

  • M-338759

• TimTec Make-on-Demand

  • OVS21334479

• AKOS (make-on-demand)

  • AKOS003551071

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.20	-3.54	-15.25	3	4	0	53	325.437	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17416

• Vitas-M

  • STK413996

• eMolecules

  • 3979793

• Molport

  • MolPort-001-576-735

• Alinda

  • IVK/1272782

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.88	-4.07	-18.93	3	5	0	62	279.365	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17415

• Scientific Exchange (make on demand)

  • M-336796

• TimTec Make-on-Demand

  • OVS21334478

• AKOS (make-on-demand)

  • AKOS003551043

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.88	-3.93	-21.83	3	5	0	62	315.398	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17414

• Vitas-M

  • STK413995

• eMolecules

  • 617457

• Molport

  • MolPort-001-576-737

• Aldrich CPR

  • R265179|ALDRICH

And 7 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.37	-4.2	-19.74	3	5	0	62	299.783	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17413

• Specs

  • AO-476/41839680

• Vitas-M

  • STK150087

• eMolecules

  • 3967416

• Molport

  • MolPort-001-577-272

And 17 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.63	4.26	-12.98	3	4	0	53	241.341	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17412

• Vitas-M

  • STL119892

• eMolecules

  • 939826
  • 45797468

• Molport

  • MolPort-003-055-079

And 10 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.98	6.88	-22.11	3	5	0	62	334.228	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17410

• eMolecules

  • 939832

• Molport

  • MolPort-001-537-243

• Aldrich CPR

  • S768812|ALDRICH

• Alinda

  • IBS-L0035919

And 11 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.36	-3.98	-16.52	3	4	0	53	269.757	6	↓ MOL2 SDF SMILES Flexibase

Analogs

6447657

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17409

• Rare Chemicals

  • BGFGB043

• Scientific Exchange (make on demand)

  • M-331697

• TimTec Make-on-Demand

  • OVS21334476

• AKOS (make-on-demand)

  • AKOS003551184

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.40	-4.01	-14.08	3	4	0	53	269.757	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17408

• eMolecules

  • 621287

• Molport

  • MolPort-001-822-507

• Aldrich CPR

  • R339598|ALDRICH

• BioBlocks

  • A3029/0127788

And 11 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.01	-4.13	-15.63	3	4	0	53	304.202	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17407

• Vitas-M

  • STK507112

• eMolecules

  • 954667

• Molport

  • MolPort-001-019-767

• Alinda

  • IBS-L0031971

And 12 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	-3.82	-15.5	3	5	0	62	265.338	7	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17406

• Vitas-M

  • STK422170

• eMolecules

  • 3969215

• Molport

  • MolPort-001-577-366

• Alinda

  • IVK/1415347

And 11 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.17	-3.54	-14.19	3	4	0	53	249.339	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17405

• Vitas-M

  • STK422100

• eMolecules

  • 3969207

• Molport

  • MolPort-001-626-362

• Alinda

  • IVK/1017810

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.13	-3.61	-13.59	3	4	0	53	249.339	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17404

• Vitas-M

  • STK130795

• eMolecules

  • 617459

• Molport

  • MolPort-001-022-957

• Aldrich CPR

  • R265187|ALDRICH

And 13 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.70	-4.05	-19.36	3	5	0	62	265.338	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Aronis (Make on Request)

  • SYN2007/17403

• Vitas-M

  • STK413994

• eMolecules

  • 3973276

• Molport

  • MolPort-001-577-285

• Alinda

  • IVK/1415249

And 6 More

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.34	-4.01	-14.86	3	4	0	53	263.366	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aronis (Make on Request)

  • SYN2007/17401

• Scientific Exchange (make on demand)

  • M-336189

• TimTec Make-on-Demand

  • OVS21334475

• AKOS (make-on-demand)

  • AKOS003550973

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 (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.52	-3.32	-15.43	3	4	0	53	311.41	7	↓ MOL2 SDF SMILES Flexibase