ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

13680121

Analogs

36756462

Draw Identity 99% 90% 80% 70%

Popular Name: DNC006098 DNC006098

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	6296	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	6296	0.29	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)	4.40	12.13	-9.28	0	4	0	41	328.371	3	↓ MOL2 SDF SMILES Flexibase

13680123

Analogs

36756462

Draw Identity 99% 90% 80% 70%

Popular Name: DNC006098 DNC006098

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	6296	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	6296	0.29	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)	4.40	12.19	-9.08	0	4	0	41	328.371	3	↓ MOL2 SDF SMILES Flexibase

13680125

Analogs

36756455
36756456

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	6661	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	6661	0.28	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)	5.07	12.69	-8.86	0	4	0	41	362.816	3	↓ MOL2 SDF SMILES Flexibase

13680127

Analogs

36756455
36756456

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	6661	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	6661	0.28	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)	5.07	12.71	-8.79	0	4	0	41	362.816	3	↓ MOL2 SDF SMILES Flexibase

13680128

Analogs

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	4027	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	4027	0.29	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)	5.21	12.79	-8.83	0	4	0	41	407.267	3	↓ MOL2 SDF SMILES Flexibase

13680130

Analogs

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	4027	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	4027	0.29	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)	5.21	12.82	-8.74	0	4	0	41	407.267	3	↓ MOL2 SDF SMILES Flexibase

13680132

Analogs

36756455
36756456
36756469
36756470

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	353	0.33	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	309	0.34	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	353	0.33	Binding ≤ 1μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	247	0.34	Binding ≤ 1μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	353	0.33	Binding ≤ 10μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	247	0.34	Binding ≤ 10μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	309	0.34	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)	5.75	13.22	-6.58	0	4	0	41	397.261	3	↓ MOL2 SDF SMILES Flexibase

13680134

Analogs

36756455
36756456
36756469
36756470

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	353	0.33	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	309	0.34	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	353	0.33	Binding ≤ 1μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	247	0.34	Binding ≤ 1μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	353	0.33	Binding ≤ 10μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	247	0.34	Binding ≤ 10μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	309	0.34	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)	5.75	13.21	-6.61	0	4	0	41	397.261	3	↓ MOL2 SDF SMILES Flexibase

13680136

Analogs

36756447
36756448
36756449
36756450
36756455

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	2110	0.29	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	936	0.31	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	2110	0.29	Binding ≤ 10μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	936	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)	5.70	13.18	-7.02	0	4	0	41	397.261	3	↓ MOL2 SDF SMILES Flexibase

13680138

Analogs

36756447
36756448
36756449
36756450
36756455

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	2110	0.29	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	936	0.31	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	2110	0.29	Binding ≤ 10μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	936	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)	5.70	13.16	-9.21	0	4	0	41	397.261	3	↓ MOL2 SDF SMILES Flexibase

13680140

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CAY10508 CAY10508

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	243	0.34	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	195	0.35	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	243	0.34	Binding ≤ 1μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	311	0.34	Binding ≤ 1μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	243	0.34	Binding ≤ 10μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	311	0.34	Binding ≤ 10μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	195	0.35	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)	6.02	13.43	-6.53	0	4	0	41	486.163	3	↓ MOL2 SDF SMILES Flexibase

13680142

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: CAY10508 CAY10508

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	243	0.34	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	195	0.35	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	243	0.34	Binding ≤ 1μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	311	0.34	Binding ≤ 1μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	243	0.34	Binding ≤ 10μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	311	0.34	Binding ≤ 10μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	195	0.35	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)	6.02	13.42	-6.54	0	4	0	41	486.163	3	↓ MOL2 SDF SMILES Flexibase

13680144

Analogs

36756445
36756446
36756451
36756452

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	6456	0.25	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	6456	0.25	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)	4.51	10.77	-10.07	0	6	0	59	388.423	5	↓ MOL2 SDF SMILES Flexibase

13680146

Analogs

36756445
36756446
36756451
36756452

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	6456	0.25	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	6456	0.25	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)	4.51	10.73	-10.21	0	6	0	59	388.423	5	↓ MOL2 SDF SMILES Flexibase

13680148

Analogs

36756469
36756470

Draw Identity 99% 90% 80% 70%

Popular Name: DNC006100 DNC006100

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	1877	0.29	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1115	0.30	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	1877	0.29	Binding ≤ 10μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	2618	0.28	Binding ≤ 10μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	1115	0.30	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)	6.43	13.7	-7.21	0	4	0	41	431.706	3	↓ MOL2 SDF SMILES Flexibase

13680150

Analogs

36756469
36756470

Draw Identity 99% 90% 80% 70%

Popular Name: DNC006100 DNC006100

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	1877	0.29	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1115	0.30	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	1877	0.29	Binding ≤ 10μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	2618	0.28	Binding ≤ 10μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	1115	0.30	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)	6.43	13.76	-7	0	4	0	41	431.706	3	↓ MOL2 SDF SMILES Flexibase

13680152

Analogs

36756447
36756448

Draw Identity 99% 90% 80% 70%

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	3312	0.27	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	3312	0.27	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)	6.38	13.68	-9.4	0	4	0	41	431.706	3	↓ MOL2 SDF SMILES Flexibase

13680154

Analogs

36756447
36756448

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	3312	0.27	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	3312	0.27	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)	6.38	13.74	-7.02	0	4	0	41	431.706	3	↓ MOL2 SDF SMILES Flexibase

13680156

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	905	0.30	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1234	0.30	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	905	0.30	Binding ≤ 1μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	905	0.30	Binding ≤ 10μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	1744	0.29	Binding ≤ 10μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	1234	0.30	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)	6.56	13.8	-7.13	0	4	0	41	476.157	3	↓ MOL2 SDF SMILES Flexibase

13680158

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1-1-E	Cannabinoid CB1 Receptor (cluster #1 Of 5), Eukaryotic	Eukaryotes	905	0.30	Binding ≤ 10μM
CNR1-2-E	Cannabinoid CB1 Receptor (cluster #2 Of 2), Eukaryotic	Eukaryotes	1234	0.30	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	905	0.30	Binding ≤ 1μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	905	0.30	Binding ≤ 10μM
CNR1_RAT	P20272	Cannabinoid CB1 Receptor, Rat	1744	0.29	Binding ≤ 10μM
CNR1_HUMAN	P21554	Cannabinoid CB1 Receptor, Human	1234	0.30	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)	6.56	13.87	-6.94	0	4	0	41	476.157	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 224625
filter.purchasability = annotated
page.format = targets
page.num = 1

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 hasring AS hr ON ci.sub_id_fk=hr.sub_id_fk INNER JOIN rings AS r ON hr.rings_fk=r.rings_id  WHERE r.rings_id = 224625 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=224625&filter.purchasability=annotated

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<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', {
        "ring.id": "224625"        

    });
</script>

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Structural Results Found: (before additional filtering)

SQL Query Was

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