ZINC 12

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Specs

  • AH-034/36862047

• eMolecules

  • 45932836

• Molport

  • MolPort-023-224-212

• Mcule

  • MCULE-7564111980

• Mcule Make-on-demand

  • MCULE-7564111980

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)	2.92	5.07	-34.99	3	5	1	94	290.302	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.92	4.15	-35.15	3	5	1	94	290.302	2	↓ MOL2 SDF SMILES Flexibase

Analogs

17040836

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 25870515

• Molport

  • MolPort-002-160-305

• Life Chemicals

  • F0849-0956

• Mcule

  • MCULE-9424090983

• Mcule Make-on-demand

  • MCULE-9424090983

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)	2.02	-5.35	-22.36	4	7	0	120	337.335	4	↓ MOL2 SDF SMILES Flexibase

Analogs

13893670

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STL108382

• eMolecules

  • 46549384

• Molport

  • MolPort-003-717-671

• American Custom Chemicals Corp.

  • CHM0244481

• Mcule

  • MCULE-9378181049

And 1 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	1.28	-38.35	5	7	1	123	338.343	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26992036

• Molport

  • MolPort-007-549-986

• American Custom Chemicals Corp.

  • HCH0156689

• ChemDiv

  • 1151-0183

• Mcule

  • MCULE-7703522118

And 1 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)	5.32	6.75	-34.49	3	4	1	70	402.179	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK026494

• eMolecules

  • 1174550

• Molport

  • MolPort-001-918-176

• ChemDiv

  • 1711-1369

• IBScreen

  • STOCK1S-10146

And 3 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)	3.59	4.42	-21.16	2	4	0	69	278.311	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 45794487

• Molport

  • MolPort-003-013-126

• Life Chemicals

  • F0349-2861

• Mcule

  • MCULE-8841772400

• Mcule Make-on-demand

  • MCULE-8841772400

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)	1.97	-4.83	-26.43	4	7	0	120	337.335	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STL109448

• eMolecules

  • 45810302

• Molport

  • MolPort-003-054-810

• American Custom Chemicals Corp.

  • CHM0257137

• Life Chemicals

  • F0803-0174

And 3 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)	4.06	7.19	-36.37	4	6	1	99	384.415	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 5426697

• Molport

  • MolPort-003-013-811

• American Custom Chemicals Corp.

  • CHM0193115

• ChemDiv

  • 1926-2315

• Life Chemicals

  • F0405-2185

And 2 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)	3.95	6.37	-29.41	3	5	1	79	323.372	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 5426701

• Molport

  • MolPort-003-013-813

• American Custom Chemicals Corp.

  • CHM0181356

• ChemDiv

  • 1926-2323

• Life Chemicals

  • F0405-2192

And 2 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)	3.63	4.66	-27.24	3	5	1	79	309.345	3	↓ MOL2 SDF SMILES Flexibase

Analogs

190451

193152

12407556

12437686

13541427

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 46209654

• Molport

  • MolPort-019-736-735
  • MolPort-019-947-720

• American Custom Chemicals Corp.

  • CHM0257269

• ChemDiv

  • 2265-3159

And 2 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)	2.56	2.3	-37.45	4	6	1	108	323.328	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 6162724

• Molport

  • MolPort-003-714-353

• American Custom Chemicals Corp.

  • HCH0156694

• ChemDiv

  • 1151-0328

• Mcule

  • MCULE-6104185256

And 1 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)	4.38	5.99	-28.22	3	4	1	70	358.215	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 6149709

• Molport

  • MolPort-003-707-807

• ChemDiv

  • 0840-0010

• Mcule

  • MCULE-3971188205

• Mcule Make-on-demand

  • MCULE-3971188205

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)	1.76	-4.81	-15.76	4	7	0	117	323.308	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK283321

• eMolecules

  • 26683677

• Molport

  • MolPort-002-995-503

• American Custom Chemicals Corp.

  • CHM0181338

• ChemDiv

  • 1391-0668

And 3 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)	5.94	6.47	-30.26	4	5	1	90	365.453	7	↓ MOL2 SDF SMILES Flexibase

Analogs

13511264

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26991992

• Molport

  • MolPort-007-549-962
  • MolPort-023-227-356

• ChemDiv

  • 1151-0127

• Mcule

  • MCULE-1225624309

And 1 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)	1.99	-5.32	-23.63	4	6	0	111	307.309	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26992002

• Molport

  • MolPort-007-549-968

• ChemDiv

  • 1151-0141

• Mcule

  • MCULE-1261270944

• Mcule Make-on-demand

  • MCULE-1261270944

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	-5.36	-25.65	4	7	0	120	337.335	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 45797400

• Molport

  • MolPort-003-054-799

• ChemDiv

  • 1151-0166

• Life Chemicals

  • F0803-0006

• Mcule

  • MCULE-3110310247

And 1 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	5.03	-32.81	3	6	1	103	320.328	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26992038

• Molport

  • MolPort-007-549-987

• ChemDiv

  • 1151-0184

• Mcule

  • MCULE-9593073172

• Mcule Make-on-demand

  • MCULE-9593073172

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)	5.30	-0.73	-17.9	2	4	0	68	401.171	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 2364770

• Molport

  • MolPort-002-160-307

• Life Chemicals

  • F0150-0046

• Mcule

  • MCULE-8719276009

• Mcule Make-on-demand

  • MCULE-8719276009

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)	4.89	0.01	-19.11	2	5	0	71	403.404	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 5424880

• Molport

  • MolPort-003-013-116

• American Custom Chemicals Corp.

  • CHM0176623

• ChemDiv

  • 1926-2334

• Mcule

  • MCULE-6601966631

And 1 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)	4.00	6.08	-29.22	3	5	1	79	323.372	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 6170450

• Molport

  • MolPort-003-718-067

• ChemDiv

  • 1711-1288

• Mcule

  • MCULE-6862642580

• Mcule Make-on-demand

  • MCULE-6862642580

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)	5.61	-2.1	-9.5	2	4	0	68	383.234	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26997224

• Molport

  • MolPort-021-742-032
  • MolPort-007-551-397

• ChemDiv

  • 2041-2417

• Mcule

  • MCULE-4857579715

And 1 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)	1.95	-4.54	-31.16	4	7	0	120	337.335	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26998610

• Molport

  • MolPort-007-552-028
  • MolPort-023-227-317

• American Custom Chemicals Corp.

  • CHM0193198

• ChemDiv

  • 2103-2563

And 2 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)	3.56	4.8	-29.32	3	6	1	89	339.371	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 6162728

• Molport

  • MolPort-003-714-355

• ChemDiv

  • 1151-0330

• Mcule

  • MCULE-6790518740

• Mcule Make-on-demand

  • MCULE-6790518740

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)	4.76	-4.19	-15.76	2	4	0	68	422.076	2	↓ MOL2 SDF SMILES Flexibase

Analogs

13146568

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26992012

• Molport

  • MolPort-007-549-974

• American Custom Chemicals Corp.

  • CHM0244480

• ChemDiv

  • 1151-0152

• Mcule

  • MCULE-7854450962

And 1 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)	2.02	0.79	-38.94	5	7	1	123	338.343	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Specs

  • AH-034/36862048

• eMolecules

  • 45932838

• Molport

  • MolPort-023-225-186

• Mcule

  • MCULE-5549703328

• Mcule Make-on-demand

  • MCULE-5549703328

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)	5.96	8.45	-35.72	3	6	1	92	442.52	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 5426707

• Molport

  • MolPort-003-013-815

• American Custom Chemicals Corp.

  • CHM0181344

• ChemDiv

  • 1926-2336

• Life Chemicals

  • F0405-2201

And 2 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)	6.38	7.14	-30.07	4	5	1	90	379.48	7	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 6144461

• Molport

  • MolPort-003-705-328

• ChemDiv

  • 1711-1289

• Mcule

  • MCULE-2364288262

• Mcule Make-on-demand

  • MCULE-2364288262

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)	5.24	-3.53	-16.04	2	4	0	68	412.07	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK094211

• eMolecules

  • 6178953

• Molport

  • MolPort-002-945-001

• American Custom Chemicals Corp.

  • CHM0181357

• ChemDiv

  • 2103-2593

And 3 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)	5.00	7.36	-29.86	3	5	1	79	371.416	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Specs

  • AK-968/15361377

• eMolecules

  • 5470094

• Molport

  • MolPort-023-224-099
  • MolPort-001-674-842

• American Custom Chemicals Corp.

  • HCH0273550

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)	4.42	6.41	-31.57	3	5	1	79	377.342	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	4.42	5.58	-34.27	3	5	1	79	377.342	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26440638

• Molport

  • MolPort-003-013-812

• American Custom Chemicals Corp.

  • CHM0181342

• ChemDiv

  • 1926-2317

• Life Chemicals

  • F0405-2187

And 2 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)	6.34	7.42	-29.86	4	5	1	90	379.48	7	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26996044

• Molport

  • MolPort-007-550-922

• American Custom Chemicals Corp.

  • CHM0175973

• ChemDiv

  • 1926-2325

• Mcule

  • MCULE-7886466236

And 1 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)	3.98	6.07	-29.24	3	5	1	79	323.372	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26993068

• Molport

  • MolPort-007-550-184

• ChemDiv

  • 1391-0707

• Mcule

  • MCULE-5033810202

• Scientific Exchange

  • H-068847

And 1 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)	5.69	-1.61	-11.45	3	6	0	112	389.455	7	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 6140619

• Molport

  • MolPort-003-703-502

• ChemDiv

  • 1416-0150

• Mcule

  • MCULE-5734622438

• Mcule Make-on-demand

  • MCULE-5734622438

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)	5.48	-3.88	-14.62	4	7	0	117	421.497	8	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK036992

• eMolecules

  • 45793886

• Molport

  • MolPort-002-934-314

• ChemDiv

  • 1488-1613

• Life Chemicals

  • F0110-0180

And 3 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)	3.57	4.74	-20.55	2	4	0	69	278.311	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26992014

• Molport

  • MolPort-007-549-975
  • MolPort-023-225-479

• ChemDiv

  • 1151-0153

• Mcule

  • MCULE-2533187864

And 1 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	-5.34	-29.76	4	7	0	120	337.335	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26992022

• Molport

  • MolPort-007-549-979

• ChemDiv

  • 1151-0170

• Mcule

  • MCULE-9965301020

• Mcule Make-on-demand

  • MCULE-9965301020

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)	3.69	-2	-17.3	2	5	0	92	368.19	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26992040

• Molport

  • MolPort-007-549-989

• ChemDiv

  • 1151-0186

• Mcule

  • MCULE-1736901857

• Mcule Make-on-demand

  • MCULE-1736901857

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)	4.57	-2.21	-18.59	2	4	0	68	351.164	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 45794521

• Molport

  • MolPort-003-013-233

• American Custom Chemicals Corp.

  • HCH0155487

• Life Chemicals

  • F0368-0057

• Mcule

  • MCULE-7242501039

And 1 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)	5.28	8.12	-27.48	3	5	1	73	405.305	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.28	8.26	-31.94	4	5	0	75	406.313	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.28	7.8	-33.92	4	5	0	75	406.313	5	↓ MOL2 SDF SMILES Flexibase

Analogs

4177548

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 6168344

• Molport

  • MolPort-003-717-044

• ChemDiv

  • 1711-1382

• Mcule

  • MCULE-9004246377

• Mcule Make-on-demand

  • MCULE-9004246377

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)	4.25	-3.49	-18.2	2	4	0	68	390.18	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Specs

  • AK-968/15361771

• Vitas-M

  • STK959512

• eMolecules

  • 4948817

• Molport

  • MolPort-023-225-669
  • MolPort-001-675-116

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)	4.97	7.89	-31.39	3	5	1	79	371.416	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	4.97	7.08	-31.52	3	5	1	79	371.416	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 6178903

• Molport

  • MolPort-003-722-260

• American Custom Chemicals Corp.

  • CHM0181348

• ChemDiv

  • 1926-2318

• Mcule

  • MCULE-9397225321

And 1 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)	4.40	7.9	-26.36	3	5	1	73	350.442	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.40	8.01	-32.4	4	5	0	75	351.45	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.40	7.52	-35.43	4	5	0	75	351.45	5	↓ MOL2 SDF SMILES Flexibase

Analogs

191879

Draw Identity 99% 90% 80% 70%

Vendors

• Specs

  • AE-848/32605037

• Vitas-M

  • STK046569

• eMolecules

  • 4374026

• Molport

  • MolPort-023-228-039
  • MolPort-002-539-039

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)	3.62	5.39	-27.37	3	4	1	70	279.319	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	3.62	4.4	-27.78	3	4	1	70	279.319	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Specs

  • AK-968/15361552

• eMolecules

  • 26781640

• Molport

  • MolPort-002-819-916
  • MolPort-023-228-302

• ChemDiv

  • 1391-0654

And 2 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)	5.20	7.83	-29.81	3	4	1	70	383.349	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	5.20	6.9	-27.93	3	4	1	70	383.349	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26991998

• Molport

  • MolPort-007-549-965

• ChemDiv

  • 1151-0134

• Mcule

  • MCULE-9863242062

• Mcule Make-on-demand

  • MCULE-9863242062

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)	2.93	-1.23	-18.32	2	6	0	101	319.32	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 23140680

• Molport

  • MolPort-007-549-969

• ChemDiv

  • 1151-0146

• Mcule

  • MCULE-1487355575

• Mcule Make-on-demand

  • MCULE-1487355575

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)	2.93	-1.25	-22.1	2	6	0	101	319.32	3	↓ MOL2 SDF SMILES Flexibase

Analogs

4509547

Draw Identity 99% 90% 80% 70%

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Vendors

• Vitas-M

  • STK084134

• eMolecules

  • 26439130

• Molport

  • MolPort-002-943-075

• Alinda

  • IBS-L0206571

• American Custom Chemicals Corp.

  • CHM0175963

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)	3.63	5.2	-29.42	3	5	1	79	309.345	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• AKOS (make-on-demand)

  • AKOS001591099

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)	2.93	-0.98	-22.39	2	6	0	101	319.32	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK038073

• eMolecules

  • 46351583

• Molport

  • MolPort-002-934-525

• American Custom Chemicals Corp.

  • HCH0156684

• Mcule

  • MCULE-5823109699

And 1 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)	4.83	6.35	-31.97	3	4	1	70	412.185	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 26992042

• Molport

  • MolPort-007-549-990

• American Custom Chemicals Corp.

  • HCH0156690

• ChemDiv

  • 1151-0187

• Mcule

  • MCULE-4262390017

And 1 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)	4.54	5.87	-30.71	3	4	1	70	352.172	2	↓ MOL2 SDF SMILES Flexibase

Analogs

191899

Draw Identity 99% 90% 80% 70%

Vendors

• eMolecules

  • 5422897

• Molport

  • MolPort-003-011-607

• ChemDiv

  • 1711-1383

• Life Chemicals

  • F0266-5872

• Mcule

  • MCULE-6830472492

And 2 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)	3.65	3.71	-19.17	2	5	0	78	308.337	3	↓ MOL2 SDF SMILES Flexibase