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)	-1.82	7.6	-412.48	0	10	-5	201	349.208	12	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.82	6.23	-308.11	1	10	-4	198	350.216	12	↓ MOL2 SDF SMILES Flexibase

22309057

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: PBDA PBDA

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FOLH1-2-E	Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.55	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)	-1.82	7.53	-407.12	0	10	-5	201	349.208	12	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.82	6.02	-303.63	1	10	-4	198	350.216	12	↓ MOL2 SDF SMILES Flexibase

13470225

Analogs

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Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FOLH1-2-E	Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	0	0.00	Binding ≤ 10μM
FOLH1-2-E	Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.90	Binding ≤ 10μM
NALD2-1-E	NAALADase II (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.90	Binding ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	0	0.00	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	1	0.90	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.54	2.08	-195.36	1	7	-3	141	223.097	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-1.54	3.17	-322.37	0	7	-4	143	222.089	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.54	0.1	-121.68	2	7	-2	138	224.105	6	↓ MOL2 SDF SMILES Flexibase

28469972

Analogs

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Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FOLH1-2-E	Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	1	0.90	Binding ≤ 10μM
FOLH1-2-E	Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	30	0.75	Binding ≤ 10μM
NALD2-1-E	NAALADase II (cluster #1 Of 1), Eukaryotic	Eukaryotes	1	0.90	Binding ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	1	0.90	Functional ≤ 10μM
Z50597-2-O	Rattus Norvegicus (cluster #2 Of 12), Other	Other	70	0.72	Functional ≤ 10μM

Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	-1.54	2.19	-197.24	1	7	-3	141	223.097	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.54	0.21	-117.84	2	7	-2	138	224.105	6	↓ MOL2 SDF SMILES Flexibase

22309053

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: PBDA PBDA

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
FOLH1-2-E	Glutamate Carboxypeptidase II (cluster #2 Of 2), Eukaryotic	Eukaryotes	22	0.47	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)	-1.82	7.53	-407.2	0	10	-5	201	349.208	12	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	-1.82	5.67	-307.53	1	10	-4	198	350.216	12	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = FOLH1-2-E
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 'FOLH1-2-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=FOLH1-2-E&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": "FOLH1-2-E",        
        "target.type": "B10"        

    });
</script>