ZINC 12

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Quick Search ZINC ID or SMILES

Results
Query Details

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Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

43989

Analogs

1514606
1514615

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	-1.29	-7.31	2	5	0	67	334.803	4	↓ MOL2 SDF SMILES Flexibase

43990

Analogs

1514606
1514615

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.07	-1.28	-7.47	2	5	0	67	334.803	4	↓ MOL2 SDF SMILES Flexibase

124016

Analogs

194777
194778

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	-0.81	-7.49	2	5	0	67	314.385	4	↓ MOL2 SDF SMILES Flexibase

124027

Analogs

194777
194778

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	4500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.84	-0.81	-7.36	2	5	0	67	314.385	4	↓ MOL2 SDF SMILES Flexibase

3905768

Analogs

4113576
4113577

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	-0.58	-12.62	2	8	0	113	365.411	8	↓ MOL2 SDF SMILES Flexibase

3905769

Analogs

4113576
4113577

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.85	-0.59	-12.71	2	8	0	113	365.411	8	↓ MOL2 SDF SMILES Flexibase

39356

Analogs

39357
44871
44872
116087
116097

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Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	-1.12	-8.32	2	6	0	76	330.384	5	↓ MOL2 SDF SMILES Flexibase

39357

Analogs

44871
44872
116087
116097
5049919

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	5000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.45	-1.12	-9.08	2	6	0	76	330.384	5	↓ MOL2 SDF SMILES Flexibase

4578150

Analogs

4578151
4380837

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Popular Name: allyl allyl

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Vendors

Molport
- MolPort-019-730-616
Scientific Exchange (make on demand)
- POD_17/0218

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	0.11	-11.33	2	8	0	113	317.301	6	↓ MOL2 SDF SMILES Flexibase

4578151

Analogs

4380837

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Popular Name: allyl allyl

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Vendors

Molport
- MolPort-019-730-616
Scientific Exchange (make on demand)
- POD_17/0218

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.60	0.31	-11.11	2	8	0	113	317.301	6	↓ MOL2 SDF SMILES Flexibase

757965

Analogs

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And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.20	-1.9	-7.3	2	5	0	67	379.254	4	↓ MOL2 SDF SMILES Flexibase

757966

Analogs

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And 7 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.20	-1.9	-7.45	2	5	0	67	379.254	4	↓ MOL2 SDF SMILES Flexibase

4380837

Analogs

4380838
4578150
4578151

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And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	650	0.36	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)	2.85	0.11	-11.09	2	8	0	113	331.328	6	↓ MOL2 SDF SMILES Flexibase

4380838

Analogs

4578150
4578151
4380837

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And 9 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	650	0.36	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)	2.85	0.12	-11.28	2	8	0	113	331.328	6	↓ MOL2 SDF SMILES Flexibase

44019

Analogs

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	250	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.35	-0.62	-11.28	2	8	0	113	345.355	5	↓ MOL2 SDF SMILES Flexibase

180701

Analogs

180705
4535068
4535069

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And 26 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	9500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	6.08	-11.33	2	8	0	113	305.29	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.21	1.18	-30.97	1	8	-1	123	304.282	4	↓ MOL2 SDF SMILES Flexibase

180705

Analogs

4535068
4535069
180701

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And 26 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	9500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	2.33	6.14	-11.33	2	8	0	113	305.29	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	1.21	1.25	-30.84	1	8	-1	123	304.282	4	↓ MOL2 SDF SMILES Flexibase

5003033

Analogs

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Popular Name: pentyl pentyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.90	8.5	-11.18	2	8	0	113	347.371	8	↓ MOL2 SDF SMILES Flexibase

5003034

Analogs

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Popular Name: pentyl pentyl

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Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	2000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.90	8.45	-11.22	2	8	0	113	347.371	8	↓ MOL2 SDF SMILES Flexibase

832319

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	-0.59	-10.95	2	8	0	113	373.409	5	↓ MOL2 SDF SMILES Flexibase

832320

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	1200	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	4.37	-0.62	-11.13	2	8	0	113	373.409	5	↓ MOL2 SDF SMILES Flexibase

847256

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	-0.62	-11.03	2	8	0	113	359.382	5	↓ MOL2 SDF SMILES Flexibase

847257

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	500	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.86	-0.65	-11.26	2	8	0	113	359.382	5	↓ MOL2 SDF SMILES Flexibase

178335

Analogs

178337

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	-0.4	-7.84	2	5	0	67	318.348	4	↓ MOL2 SDF SMILES Flexibase

178337

Analogs

178335

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Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
S27A4-1-E	Fatty Acid Transport Protein 4 (cluster #1 Of 1), Eukaryotic	Eukaryotes	8000	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 (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	3.56	-0.4	-8.05	2	5	0	67	318.348	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

target.name = S27A4-1-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 'S27A4-1-E' AND t.atype_fk = 0 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=S27A4-1-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": "S27A4-1-E",        
        "target.type": "B10"        

    });
</script>