ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

38143156

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	930	0.25	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)	1.92	15.23	-55.21	1	8	0	97	508.681	24	↓ MOL2 SDF SMILES Flexibase

38143157

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	930	0.25	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)	1.92	15.27	-55.28	1	8	0	97	508.681	24	↓ MOL2 SDF SMILES Flexibase

8034936

Analogs

8034940
14252842
14252845
17611654

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Toronto Research Chemicals
- H293000

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	460	0.25	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)	2.30	16.21	-55.47	1	8	0	97	522.708	25	↓ MOL2 SDF SMILES Flexibase

17611651

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Toronto Research Chemicals
- H293000

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	460	0.25	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

17611654

Analogs

14252842
14252845
8034936

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Toronto Research Chemicals
- H293000

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	460	0.25	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)	2.30	16.28	-55.32	1	8	0	97	522.708	25	↓ MOL2 SDF SMILES Flexibase

64281288

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Toronto Research Chemicals
- H293000

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	460	0.25	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

1653182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: TEPP TEPP

Find On: PubMed — Wikipedia — Google

Vendors

And 1 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	7000	0.42	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)	0.34	6.12	-18.81	0	7	0	80	290.189	10	↓ MOL2 SDF SMILES Flexibase

38143154

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	300	0.25	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)	2.93	16.8	-55.14	1	8	0	97	536.735	26	↓ MOL2 SDF SMILES Flexibase

38143155

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	300	0.25	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)	2.93	16.83	-55.23	1	8	0	97	536.735	26	↓ MOL2 SDF SMILES Flexibase

8034940

Analogs

14252842
14252845
17611654
8034936

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	160	0.26	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)	3.31	17.77	-55.46	1	8	0	97	550.762	27	↓ MOL2 SDF SMILES Flexibase

14252842

Analogs

14252845
17611654
8034936
8034940

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	160	0.26	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

14252845

Analogs

17611654
14252842
8034936
8034940

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	160	0.26	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)	3.31	17.84	-55.27	1	8	0	97	550.762	27	↓ MOL2 SDF SMILES Flexibase

64281085

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	160	0.26	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

8195621

Analogs

8860523
14255579
17654196
38143169
43379726

Draw Identity 99% 90% 80% 70%

Popular Name: LS-53244 LS-53244

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	1800	0.23	Functional ≤ 10μM
Z50417-1-O	Leishmania Infantum (cluster #1 Of 4), Other	Other	820	0.24	Functional ≤ 10μM
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	920	0.24	Functional ≤ 10μM
Z80156-3-O	HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other	Other	260	0.26	Functional ≤ 10μM
Z80156-3-O	HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other	Other	6100	0.21	Functional ≤ 10μM
Z80166-2-O	HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other	Other	2000	0.23	Functional ≤ 10μM
Z80186-3-O	K562 (Erythroleukemia Cells) (cluster #3 Of 11), Other	Other	6100	0.21	Functional ≤ 10μM
Z80678-1-O	AMML Cell Line (cluster #1 Of 1), Other	Other	1350	0.23	Functional ≤ 10μM
Z80678-1-O	AMML Cell Line (cluster #1 Of 1), Other	Other	3300	0.22	Functional ≤ 10μM
Z80777-1-O	CML/BC Cell Line (cluster #1 Of 1), Other	Other	250	0.26	Functional ≤ 10μM
Z80777-1-O	CML/BC Cell Line (cluster #1 Of 1), Other	Other	1500	0.23	Functional ≤ 10μM
Z81245-2-O	MDA-MB-435 (Breast Carcinoma Cells) (cluster #2 Of 6), Other	Other	3000	0.22	Functional ≤ 10μM
Z81252-2-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #2 Of 11), Other	Other	5000	0.21	Functional ≤ 10μM
Z80548-1-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 4), Other	Other	4960	0.21	ADME/T ≤ 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)	3.81	18.9	-48.04	0	7	0	77	523.736	27	↓ MOL2 SDF SMILES Flexibase

14255579

Analogs

17654196
38143169
43379726
43379728
8195621

Draw Identity 99% 90% 80% 70%

Popular Name: LS-53244 LS-53244

Find On: PubMed — Wikipedia — Google

Vendors

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PTAFR-2-E	Platelet Activating Factor Receptor (cluster #2 Of 3), Eukaryotic	Eukaryotes	1800	0.23	Functional ≤ 10μM
Z50417-1-O	Leishmania Infantum (cluster #1 Of 4), Other	Other	820	0.24	Functional ≤ 10μM
Z50607-9-O	Human Immunodeficiency Virus 1 (cluster #9 Of 10), Other	Other	920	0.24	Functional ≤ 10μM
Z80156-3-O	HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other	Other	260	0.26	Functional ≤ 10μM
Z80156-3-O	HL-60 (Promyeloblast Leukemia Cells) (cluster #3 Of 12), Other	Other	6100	0.21	Functional ≤ 10μM
Z80166-2-O	HT-29 (Colon Adenocarcinoma Cells) (cluster #2 Of 12), Other	Other	2000	0.23	Functional ≤ 10μM
Z80186-3-O	K562 (Erythroleukemia Cells) (cluster #3 Of 11), Other	Other	6100	0.21	Functional ≤ 10μM
Z80678-1-O	AMML Cell Line (cluster #1 Of 1), Other	Other	1350	0.23	Functional ≤ 10μM
Z80678-1-O	AMML Cell Line (cluster #1 Of 1), Other	Other	3300	0.22	Functional ≤ 10μM
Z80777-1-O	CML/BC Cell Line (cluster #1 Of 1), Other	Other	250	0.26	Functional ≤ 10μM
Z80777-1-O	CML/BC Cell Line (cluster #1 Of 1), Other	Other	1500	0.23	Functional ≤ 10μM
Z81245-2-O	MDA-MB-435 (Breast Carcinoma Cells) (cluster #2 Of 6), Other	Other	3000	0.22	Functional ≤ 10μM
Z81252-2-O	MDA-MB-231 (Breast Adenocarcinoma Cells) (cluster #2 Of 11), Other	Other	5000	0.21	Functional ≤ 10μM
Z80548-1-O	THP-1 (Acute Monocytic Leukemia Cells) (cluster #1 Of 4), Other	Other	4960	0.21	ADME/T ≤ 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

Parameters Provided:

target.name = Z50607-9-O
target.type = F10
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 'Z50607-9-O' AND t.atype_fk = 5 AND c.purchasable IN (1,2,4,5)    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?target.name=Z50607-9-O&target.type=F10&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": "Z50607-9-O",        
        "target.type": "F10"        

    });
</script>