ZINC 12

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.46	0.89	-12.64	2	4	0	75	264.302	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.46	1.61	-44.97	1	4	-1	77	263.294	2	↓ MOL2 SDF SMILES Flexibase

289034

Analogs

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Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FABH-2-B	Beta-ketoacyl-ACP Synthase III (cluster #2 Of 2), Bacterial	Bacteria	31	0.50	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.23	-0.88	-18.69	3	6	0	104	307.327	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.23	-0.16	-48.88	2	6	-1	107	306.319	3	↓ MOL2 SDF SMILES Flexibase

32149231

Analogs

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Popular Name: DNC014032 DNC014032

Find On: PubMed — Wikipedia — Google

Vendors

Aldrich CPR
- PH005828|ALDRICH

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FABH-2-B	Beta-ketoacyl-ACP Synthase III (cluster #2 Of 2), Bacterial	Bacteria	138	0.48	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.41	8.19	-10.29	0	2	0	34	282.364	2	↓ MOL2 SDF SMILES Flexibase

13124254

Analogs

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FABH-2-B	Beta-ketoacyl-ACP Synthase III (cluster #2 Of 2), Bacterial	Bacteria	20	0.67	Binding ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.12	2.95	-34.49	3	3	1	54	220.292	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.12	4.47	-16.19	2	3	0	57	219.284	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.12	0.83	-6.22	2	3	0	53	219.284	2	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = FABH-2-B
target.type = B10
page.format = summary
page.num = 1
filter.purchasability = purchasable

Structural Results Found: (before additional filtering)

SQL Query Was

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

Permalink

//zinc12.docking.org/results/combination?target.name=FABH-2-B&target.type=B10&filter.purchasability=purchasable

Embed Link to Results

<div id="zinc-link"></div>
<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
<script type="text/javascript">
    window.zinc.embed('zinc-link', {
        "target.name": "FABH-2-B",        
        "target.type": "B10"        

    });
</script>