Search Results | ZINC Is Not Commercial - A database of commercially-available compounds

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

17951804

Analogs

33838556

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 8 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	5730	0.61	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	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.13	0.61	-4.51	0	4	59	164.164	4	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.77	0.3	-7.73	2	4	65	164.164	2	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	2.77	0.44	-8.14	2	4	65	164.164	2	↓ MOL2 SDF SMILES Flexibase

56949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: Benznidazole Benznidazole

Find On: PubMed — Wikipedia — Google

Vendors

And 5 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	4270	0.40	Functional ≤ 10μM
Z50466-1-O	Trypanosoma Cruzi (cluster #1 Of 8), Other	Other	8970	0.37	Functional ≤ 10μM
Z50473-1-O	Plasmodium Berghei (cluster #1 Of 5), Other	Other	4070	0.40	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)	0.78	8.49	-18.62	1	7	0	93	260.253	5	↓ MOL2 SDF SMILES Flexibase
Ref Reference (pH 7)	0.96	5.63	-19.78	1	7	0	96	260.253	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	0.78	8.96	-41.98	2	7	1	94	261.261	5	↓ MOL2 SDF SMILES Flexibase

3956788

Analogs

5378904

Draw Identity 99% 90% 80% 70%

Popular Name: Nitazoxanide Nitazoxanide

Find On: PubMed — Wikipedia — Google

Vendors

And 23 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	504	0.42	Functional ≤ 10μM
Z50424-1-O	Cryptosporidium Parvum (cluster #1 Of 2), Other	Other	3800	0.36	Functional ≤ 10μM
Z50461-2-O	Leishmania Mexicana (cluster #2 Of 3), Other	Other	6180	0.35	Functional ≤ 10μM
Z50467-1-O	Trichomonas Vaginalis (cluster #1 Of 3), Other	Other	68	0.48	Functional ≤ 10μM
Z50468-1-O	Giardia Intestinalis (cluster #1 Of 4), Other	Other	1214	0.39	Functional ≤ 10μM
Z50473-1-O	Plasmodium Berghei (cluster #1 Of 5), Other	Other	3890	0.36	Functional ≤ 10μM
Z50606-1-O	Hepatitis B Virus (cluster #1 Of 3), Other	Other	590	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)	2.02	7.98	-18.51	1	8	0	114	307.287	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.54	6.55	-43.57	0	8	-1	120	306.279	5	↓ MOL2 SDF SMILES Flexibase

5632178

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Scientific Exchange (make on demand)
- K-059337

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	3515	0.31	Functional ≤ 10μM
Z50461-2-O	Leishmania Mexicana (cluster #2 Of 3), Other	Other	1350	0.33	Functional ≤ 10μM
Z50466-7-O	Trypanosoma Cruzi (cluster #7 Of 8), Other	Other	4890	0.30	Functional ≤ 10μM
Z50467-2-O	Trichomonas Vaginalis (cluster #2 Of 3), Other	Other	842	0.34	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	297	0.37	Functional ≤ 10μM
Z50473-4-O	Plasmodium Berghei (cluster #4 Of 5), Other	Other	2420	0.31	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)	3.37	10.29	-18.57	1	8	0	114	357.347	5	↓ MOL2 SDF SMILES Flexibase

15773014

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

Florida Heterocyclic Compounds
- 15761
Ambinter
- Amb10562480

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	8021	0.32	Functional ≤ 10μM
Z50467-2-O	Trichomonas Vaginalis (cluster #2 Of 3), Other	Other	2147	0.36	Functional ≤ 10μM
Z50468-2-O	Giardia Intestinalis (cluster #2 Of 4), Other	Other	590	0.40	Functional ≤ 10μM
Z50473-4-O	Plasmodium Berghei (cluster #4 Of 5), Other	Other	2370	0.36	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)	3.81	6.78	-15.07	2	7	0	108	315.31	3	↓ MOL2 SDF SMILES Flexibase

15830288

Analogs

15830290
34465363
34465365
6581919
6582182

Draw Identity 99% 90% 80% 70%

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
AOFA-2-E	Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic	Eukaryotes	333	0.43	Binding ≤ 10μM
AOFB-2-E	Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic	Eukaryotes	1800	0.38	Binding ≤ 10μM
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	1580	0.39	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)	3.83	9.92	-11.17	2	3	0	42	295.411	3	↓ MOL2 SDF SMILES Flexibase

15830290

Analogs

34465363
34465365
6581919
6582182
15830288

Draw Identity 99% 90% 80% 70%

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
AOFA-2-E	Monoamine Oxidase A (cluster #2 Of 8), Eukaryotic	Eukaryotes	333	0.43	Binding ≤ 10μM
AOFB-2-E	Monoamine Oxidase B (cluster #2 Of 8), Eukaryotic	Eukaryotes	1800	0.38	Binding ≤ 10μM
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	1580	0.39	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)	3.83	9.9	-11.17	2	3	0	42	295.411	3	↓ MOL2 SDF SMILES Flexibase

3830747

Analogs

3977736
4213094
11679768
31357301
44830701

Draw Identity 99% 90% 80% 70%

Popular Name: EMETINE EMETINE

Find On: PubMed — Wikipedia — Google

Vendors

And 22 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	2230	0.23	Functional ≤ 10μM
Z50425-3-O	Plasmodium Falciparum (cluster #3 Of 22), Other	Other	960	0.24	Functional ≤ 10μM
Z80088-1-O	CHO (Ovarian Cells) (cluster #1 Of 4), Other	Other	139	0.27	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)	3.64	12.15	-129.24	3	6	2	58	482.665	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.64	8.75	-11.58	1	6	0	52	480.649	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.64	10.9	-51.82	2	6	1	53	481.657	7	↓ MOL2 SDF SMILES Flexibase

34327

Analogs

34328
34465363
34465365

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	1610	0.41	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)	3.38	-1.4	-11.16	2	3	0	41	281.384	3	↓ MOL2 SDF SMILES Flexibase

34328

Analogs

34465363
34465365
34327

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Vendors

And 4 More

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
Z50422-1-O	Entamoeba Histolytica (cluster #1 Of 5), Other	Other	1610	0.41	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)	3.38	-1.41	-11.17	2	3	0	41	281.384	3	↓ MOL2 SDF SMILES Flexibase

User Information

Navigation

Analogs

Vendors

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Activity (Go SEA)

Physical Representations

Analogs

Vendors

Activity (Go SEA)

Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results