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

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

13798451

Analogs

34616674
34616675
13738105

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	6	0.64	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_HUMAN	P00491	Purine Nucleoside Phosphorylase, Human	47	0.57	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	13.2	0.61	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	13.2	0.61	Binding ≤ 10μM
PNPH_HUMAN	P00491	Purine Nucleoside Phosphorylase, Human	2100	0.44	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)	2.20	5.24	-11.15	4	5	0	88	246.314	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	3.07	-52.59	3	5	-1	91	245.306	2	↓ MOL2 SDF SMILES Flexibase

13798454

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.51	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	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)	2.75	6.16	-11.82	4	5	0	88	314.311	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.21	3.99	-50.71	3	5	-1	91	313.303	3	↓ MOL2 SDF SMILES Flexibase

13798457

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.51	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	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)	2.75	6.06	-12.49	4	5	0	88	314.311	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.21	3.98	-52.22	3	5	-1	91	313.303	3	↓ MOL2 SDF SMILES Flexibase

13798459

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.51	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	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)	2.75	6.15	-12.14	4	5	0	88	314.311	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.21	4.03	-51.85	3	5	-1	91	313.303	3	↓ MOL2 SDF SMILES Flexibase

13798462

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	9	0.51	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	0.50	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	14.8	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)	2.75	5.81	-12.93	4	5	0	88	314.311	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.21	3.74	-52.62	3	5	-1	91	313.303	3	↓ MOL2 SDF SMILES Flexibase

13798469

Analogs

34616674
34616675
13738105

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	820	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	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)	2.21	5.61	-11.02	4	5	0	88	260.341	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	3.46	-52.53	3	5	-1	91	259.333	2	↓ MOL2 SDF SMILES Flexibase

13798472

Analogs

34616674
34616675
13738105

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	820	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	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)	2.21	5.84	-11.02	4	5	0	88	260.341	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	3.68	-52.39	3	5	-1	91	259.333	2	↓ MOL2 SDF SMILES Flexibase

13798474

Analogs

34616674
34616675
13738105

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	820	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	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)	2.21	5.74	-11.5	4	5	0	88	260.341	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	3.63	-53.1	3	5	-1	91	259.333	2	↓ MOL2 SDF SMILES Flexibase

13798477

Analogs

34616674
34616675
13738105

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	820	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	11.4	0.59	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)	2.21	5.51	-11.32	4	5	0	88	260.341	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.66	3.41	-52.91	3	5	-1	91	259.333	2	↓ MOL2 SDF SMILES Flexibase

13798510

Analogs

Draw Identity 99% 90% 80% 70%

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH-1-E	Purine-nucleoside Phosphorylase (cluster #1 Of 1), Eukaryotic	Eukaryotes	885	0.45	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	766	0.45	Binding ≤ 1μM
PNPH_BOVIN	P55859	Purine Nucleoside Phosphorylase, Bovin	1471	0.43	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)	1.81	3.86	-12.41	6	6	0	114	261.329	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	1.81	3.66	-53.21	7	6	1	115	262.337	2	↓ MOL2 SDF SMILES Flexibase

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Parameters Provided:

Structural Results Found: (before additional filtering)

SQL Query Was

Permalink

Embed Link to Results