ZINC 12

Analogs

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Vendors

• Specs

  • AG-205/33681057

• Vitas-M

  • STK168836

• eMolecules

  • 1245204

• Asinex

  • BAS00583719

• BioBlocks

  • A1906/0080111

And 8 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	3940	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)	2.86	-0.2	-19.52	1	4	0	49	314.772	3	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Specs

  • AG-205/33681057

• Vitas-M

  • STK168836

• eMolecules

  • 1245204

• Asinex

  • BAS00583719

• BioBlocks

  • A1906/0080111

And 8 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	3940	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)	2.86	-0.32	-17	1	4	0	49	314.772	3	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Vitas-M

  • STK169045

• eMolecules

  • 2182045

• Molport

  • MolPort-001-499-965

• Alinda

  • IBS-L0151299

• BioBlocks

  • A2265/0095404

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	8160	0.31	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)	4.16	8.6	-14.97	1	4	0	49	355.265	3	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Vitas-M

  • STK169045

• eMolecules

  • 2182045

• Molport

  • MolPort-001-499-965

• Alinda

  • IBS-L0151299

• BioBlocks

  • A2265/0095404

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	8160	0.31	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)	4.16	8.54	-11.62	1	4	0	49	355.265	3	↓ MOL2 SDF SMILES Flexibase

Analogs

4814420

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Vendors

• Vitas-M

  • STK218154

• eMolecules

  • 2529505

• Molport

  • MolPort-002-302-339

• ChemBridge

  • 9000900

• Mcule

  • MCULE-6791111232

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	5100	0.32	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	9.65	-14.17	0	4	0	41	312.413	2	↓ MOL2 SDF SMILES Flexibase

Analogs

4814419

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Vendors

• Vitas-M

  • STK218154

• eMolecules

  • 2529505

• Molport

  • MolPort-002-302-339

• ChemBridge

  • 9000900

• Mcule

  • MCULE-6791111232

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	5100	0.32	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.11	9.63	-18.77	0	4	0	41	312.413	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK226649

• eMolecules

  • 1245224

• Molport

  • MolPort-001-899-525

• Mcule

  • MCULE-9977933636

• Princeton BioMolecular Research

  • OSSK_704153

And 4 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	1350	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)	3.53	-1.01	-11.18	1	4	0	49	320.82	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK226649

• eMolecules

  • 1245224

• Molport

  • MolPort-001-899-525

• Mcule

  • MCULE-9977933636

• Princeton BioMolecular Research

  • OSSK_704153

And 4 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	1350	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)	3.53	-0.95	-13.87	1	4	0	49	320.82	3	↓ MOL2 SDF SMILES Flexibase

Analogs

3518734

34668635

34668639

34668642

34668643

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Vendors

• Molport

  • MolPort-001-525-821

• Labotest

  • LT01272870

• Mcule

  • MCULE-8202053799

• TimTec

  • ST51022035

• Scientific Exchange (make on demand)

  • H-045384

And 4 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	9430	0.32	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.57	-1.23	-8.71	0	3	0	23	314.816	2	↓ MOL2 SDF SMILES Flexibase

Analogs

34668644

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Vendors

• Specs

  • AK-968/11658104

• Vitas-M

  • STK098390

• eMolecules

  • 1274974

• Molport

  • MolPort-001-632-943

• Alinda

  • IVK/7119809

And 12 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	990	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)	3.97	10.17	-9.74	0	3	0	24	328.843	2	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Specs

  • AG-690/11632282

• Vitas-M

  • STK049010

• eMolecules

  • 1094846

• Molport

  • MolPort-001-498-126

• Alinda

  • IVK/8081205

And 11 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	9740	0.32	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.31	-0.83	-8.44	0	3	0	23	318.779	2	↓ MOL2 SDF SMILES Flexibase

Analogs

34668104

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Vendors

• Specs

  • AK-968/15254429

• Vitas-M

  • STK050166

• eMolecules

  • 2176214

• Molport

  • MolPort-001-624-399

• Alinda

  • IVK/9061063

And 10 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	1850	0.31	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)	4.19	1.4	-9.13	0	3	0	23	362.395	3	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Specs

  • AG-690/11635702

• Vitas-M

  • STK097444

• eMolecules

  • 1252047

• Alinda

  • IBS-L0072632

• ChemDiv

  • 4130-2957

And 13 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	6730	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)	3.80	-1.68	-10.3	0	3	0	23	335.234	2	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Vitas-M

  • STK093701

• eMolecules

  • 1214608

• Molport

  • MolPort-001-632-510

• Alinda

  • IBS-L0072621

• Asinex

  • BAS00406738

And 10 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	7740	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)	4.13	0.91	-7.1	0	2	0	20	313.828	3	↓ MOL2 SDF SMILES Flexibase

Analogs

5102934

19933512

34682406

631090

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Vendors

• Vitas-M

  • STK003473

• eMolecules

  • 1278505

• Alinda

  • IBS-L0138277

• Innovapharm

  • STT-00294277

• Mcule

  • MCULE-3623165331

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	5160	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)	3.93	1.37	-8.45	0	2	0	20	293.41	3	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Vitas-M

  • STK396149

• eMolecules

  • 1240105

• Labotest

  • LT00584224

• Mcule

  • MCULE-3325448237

• Princeton BioMolecular Research

  • OSSK_605141

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	7390	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)	3.91	1.38	-8.42	0	2	0	20	293.41	3	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• AKOS (make-on-demand)

  • AKOS008663839

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	90	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)	3.91	10.6	-11.71	0	3	0	24	354.453	2	↓ MOL2 SDF SMILES Flexibase

Analogs

20917528

23309265

23309269

72091836

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Vendors

• eMolecules

  • 4085290

• Scientific Exchange (make on demand)

  • M-915565

• AKOS (make-on-demand)

  • AKOS003771315

• Ambinter

  • Amb7440679

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	1890	0.27	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)	4.75	12.71	-10.61	0	3	0	24	406.476	4	↓ MOL2 SDF SMILES Flexibase

Analogs

23303993

23303995

8250067

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Vendors

• Vitas-M

  • STK241706

• eMolecules

  • 4070482

• Molport

  • MolPort-002-982-008

• Innovapharm

  • STT-00278481

• Mcule

  • MCULE-4139203785

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	2040	0.27	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)	4.30	12.05	-10.79	0	3	0	24	392.449	4	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Vitas-M

  • STK204709

• eMolecules

  • 2527042

• Molport

  • MolPort-002-301-411

• Alinda

  • IBS-C0005679

• ChemBridge

  • 7995600

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	1600	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)	3.54	7.44	-11.92	1	5	0	59	350.846	4	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• Vitas-M

  • STK204709

• eMolecules

  • 2527042

• Molport

  • MolPort-002-301-411

• Alinda

  • IBS-C0005679

• ChemBridge

  • 7995600

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	1600	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)	3.54	7.5	-15.45	1	5	0	59	350.846	4	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• eMolecules

  • 1245226

• Molport

  • MolPort-001-899-526

• Asinex

  • BAS00583742

• ChemBridge

  • 5378665

• Labotest

  • LT00003301

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	890	0.39	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.66	-1.62	-11.11	1	4	0	49	365.271	3	↓ MOL2 SDF SMILES Flexibase

Analogs

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Vendors

• eMolecules

  • 1245226

• Molport

  • MolPort-001-899-526

• Asinex

  • BAS00583742

• ChemBridge

  • 5378665

• Labotest

  • LT00003301

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	890	0.39	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.66	-1.57	-13.72	1	4	0	49	365.271	3	↓ MOL2 SDF SMILES Flexibase

Analogs

4487713

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STL261502

• eMolecules

  • 1532358

• Molport

  • MolPort-002-020-729

• Mcule

  • MCULE-9247725794

• Scientific Exchange (make on demand)

  • M-836690

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	1490	0.35	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)	3.13	0.71	-15.54	1	4	0	49	322.355	3	↓ MOL2 SDF SMILES Flexibase

Analogs

4487712

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STL261502

• eMolecules

  • 1532358

• Molport

  • MolPort-002-020-729

• Mcule

  • MCULE-9247725794

• Scientific Exchange (make on demand)

  • M-836690

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	1490	0.35	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)	3.13	0.59	-12.4	1	4	0	49	322.355	3	↓ MOL2 SDF SMILES Flexibase

Analogs

8816436

6700929

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Vendors

• Vitas-M

  • STK227093

• eMolecules

  • 7715013

• Molport

  • MolPort-002-778-996

• Alinda

  • IBS-L0151282

• Mcule

  • MCULE-1795023831

And 5 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	3140	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)	3.70	8.84	-13.45	1	4	0	49	314.429	3	↓ MOL2 SDF SMILES Flexibase

Analogs

6700929

Draw Identity 99% 90% 80% 70%

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Vendors

• Vitas-M

  • STK227093

• eMolecules

  • 7715013

• Molport

  • MolPort-002-778-996

• Alinda

  • IBS-L0151282

• Mcule

  • MCULE-1795023831

And 5 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	3140	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)	3.70	8.93	-16.36	1	4	0	49	314.429	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• ZereneX Building Blocks

  • E/1123165

• Scientific Exchange

  • M-962631

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	400	0.32	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.36	11.27	-11.49	0	3	0	24	368.48	2	↓ MOL2 SDF SMILES Flexibase

Analogs

5094315

Draw Identity 99% 90% 80% 70%

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Vendors

• Vitas-M

  • STK080751

• eMolecules

  • 2174881

• Molport

  • MolPort-001-545-690

• Alinda

  • IBS-L0145045

• ChemBridge

  • 6819669

And 9 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	6260	0.29	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)	3.81	1.11	-8.9	0	3	0	23	348.368	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Scientific Exchange (make on demand)

  • M-818009

• Otava (Virtual)

  • 3385182

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	3510	0.31	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)	3.75	8.53	-14.3	1	4	0	49	354.372	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Scientific Exchange (make on demand)

  • M-818009

• Otava (Virtual)

  • 3385182

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	3510	0.31	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)	3.75	8.51	-11.5	1	4	0	49	354.372	4	↓ MOL2 SDF SMILES Flexibase

Analogs

42165805

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Vendors

• Vitas-M

  • STK035352

• eMolecules

  • 1276034

• Molport

  • MolPort-001-016-082

• Alinda

  • IBS-L0151332

• ChemBridge

  • 6061744

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	970	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)	3.93	8.93	-13.1	1	4	0	49	334.847	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Vitas-M

  • STK035352

• eMolecules

  • 1276034

• Molport

  • MolPort-001-016-082

• Alinda

  • IBS-L0151332

• ChemBridge

  • 6061744

And 6 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	970	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)	3.93	8.99	-15.92	1	4	0	49	334.847	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Specs

  • AK-968/11368883

• Vitas-M

  • STK013612

• eMolecules

  • 1084237

• Molport

  • MolPort-001-031-969

• Alinda

  • IVK/6224946

And 11 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	6050	0.32	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.43	-1.85	-9.16	0	3	0	23	369.679	2	↓ MOL2 SDF SMILES Flexibase

Analogs

830012

23143163

34668629

34668634

Draw Identity 99% 90% 80% 70%

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Vendors

• Specs

  • AG-690/12883824
  • AK-968/11164700

• Vitas-M

  • STK036319

• eMolecules

  • 1093988

• Molport

  • MolPort-001-032-755

And 16 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	3070	0.35	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)	3.60	-1.23	-8.45	0	3	0	23	314.816	2	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Specs

  • AN-329/40613814

• Vitas-M

  • STK019569

• eMolecules

  • 2155573

• Molport

  • MolPort-001-513-224

• Alinda

  • IBS-L0063928

And 9 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-3-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial	Bacteria	3470	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)	4.16	1.62	-12.98	1	6	0	84	334.759	5	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Specs

  • AN-329/40887402

• Vitas-M

  • STK096466

• eMolecules

  • 2178308

• Molport

  • MolPort-001-525-391

• Alinda

  • IBS-L0045105

And 7 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-3-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial	Bacteria	9550	0.35	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)	5.08	2.95	-15.93	0	5	0	72	336.141	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Specs

  • AK-968/11566180

• Vitas-M

  • STK008252

• eMolecules

  • 653220

• Molport

  • MolPort-001-508-015

• Aldrich CPR

  • R589551|ALDRICH

And 12 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-3-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial	Bacteria	5010	0.32	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.43	1.45	-18.03	1	7	0	93	336.731	5	↓ MOL2 SDF SMILES Flexibase

Analogs

5918152

Draw Identity 99% 90% 80% 70%

Vendors

• Vitas-M

  • STK161175

• eMolecules

  • 651320

• Molport

  • MolPort-001-799-477

• Aldrich CPR

  • R578517|ALDRICH

• BioBlocks

  • A0516/0023879

And 8 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	4070	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)	4.06	0.77	-14.52	1	6	0	84	341.15	4	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Specs

  • AG-205/34706018

• eMolecules

  • 25858176

• Molport

  • MolPort-002-148-470

• Asinex

  • BAS00395354

• BioBlocks

  • A0897/0042135

And 8 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-3-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial	Bacteria	6170	0.30	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)	4.02	-1.11	-14.5	0	4	0	36	343.496	5	↓ MOL2 SDF SMILES Flexibase

Analogs

853561

5881744

25464741

Draw Identity 99% 90% 80% 70%

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Vendors

• Specs

  • AN-329/10436009

• Vitas-M

  • STK076723

• eMolecules

  • 1322288

• Alinda

  • IBS-L0061911

• Aronis

  • m07318

And 8 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	2140	0.35	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)	4.98	-0.07	-17.12	1	5	0	74	346.795	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Aldrich CPR

  • R578932|ALDRICH

• Mcule

  • MCULE-2443287207

• Scientific Exchange (make on demand)

  • X-065731

• Innovapharm Make-on-Demand

  • VT-00376778

• UORSY Make-on-demand

  • PB28370873

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	8710	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)	4.45	1.03	-11.37	1	5	0	74	325.151	3	↓ MOL2 SDF SMILES Flexibase

Analogs

483247

38830

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Vendors

• Specs

  • AN-329/12072549

• Vitas-M

  • STK073585

• eMolecules

  • 2104834

• Molport

  • MolPort-001-026-902

• Alinda

  • IBS-L0062237

And 9 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-2-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #2 Of 4), Bacterial	Bacteria	4370	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)	3.59	1.46	-18.12	1	6	0	78	313.357	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

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Vendors

• Specs

  • AG-205/15424389

• Vitas-M

  • STK013344

• eMolecules

  • 1065104

• Molport

  • MolPort-001-022-446

• Aldrich CPR

  • S730815|ALDRICH

And 14 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-3-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial	Bacteria	4680	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)	5.32	9.03	-6.24	0	4	0	58	329.57	3	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	5.32	10.3	-11.95	0	4	0	58	329.57	3	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Specs

  • AP-828/41111801

• Vitas-M

  • STK160192

• eMolecules

  • 26578620

• Molport

  • MolPort-002-845-989
  • MolPort-019-756-193

And 4 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-3-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial	Bacteria	3630	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)	2.22	6.41	-17.45	1	6	0	78	317.341	6	↓ MOL2 SDF SMILES Flexibase

Analogs

Draw Identity 99% 90% 80% 70%

Vendors

• Molport

  • MolPort-001-796-090

• Aldrich CPR

  • R418382|ALDRICH

• Asinex

  • BAS00487436

• Mcule

  • MCULE-9389655056

• TimTec

  • ST50231976

And 2 More

Activity (Go SEA)

Clustered Target Annotations

Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
INHA-3-B	Enoyl-[acyl-carrier-protein] Reductase (cluster #3 Of 4), Bacterial	Bacteria	3310	0.32	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Ų)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.17	1.15	-10.07	0	4	0	46	320.392	5	↓ MOL2 SDF SMILES Flexibase