ZINC 12

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ZINC Item

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29145179

Analogs

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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)	2.91	7.97	-12.22	0	7	0	82	340.412	4	↓ MOL2 SDF SMILES Flexibase

52891445

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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)	3.49	8.86	-13.57	0	7	0	82	354.439	6	↓ MOL2 SDF SMILES Flexibase

17991680

Analogs

1347597

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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	12.68	-8.59	0	5	0	46	295.39	1	↓ MOL2 SDF SMILES Flexibase

20613920

Analogs

20613921
39239688
39239690

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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)	3.71	10.88	-8.66	0	5	0	46	377.879	3	↓ MOL2 SDF SMILES Flexibase

20613921

Analogs

39239688
39239690
20613920

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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)	3.71	11.53	-9.27	0	5	0	46	377.879	3	↓ MOL2 SDF SMILES Flexibase

20613945

Analogs

20613946
39239688
39239690

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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)	3.73	11.21	-10.13	0	5	0	46	377.879	3	↓ MOL2 SDF SMILES Flexibase

20613946

Analogs

39239688
39239690
20613945

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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)	3.73	11.58	-8.69	0	5	0	46	377.879	3	↓ MOL2 SDF SMILES Flexibase

22739321

Analogs

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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)	3.21	11.97	-19.73	0	9	0	103	482.525	5	↓ MOL2 SDF SMILES Flexibase

54446378

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10-1-E	Phosphodiesterase 10A (cluster #1 Of 1), Eukaryotic	Eukaryotes	1300	0.34	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE10_HUMAN	Q9Y233	Phosphodiesterase 10A, Human	1300	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)	1.37	7.4	-16.63	0	7	0	73	343.412	3	↓ MOL2 SDF SMILES Flexibase

54446519

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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	10.8	-15.74	0	7	0	82	375.413	3	↓ MOL2 SDF SMILES Flexibase

23007802

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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)	5.04	10.87	-15.06	0	6	0	69	401.495	4	↓ MOL2 SDF SMILES Flexibase

13672223

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	283	0.38	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	106	0.41	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	8	0.47	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	283	0.38	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	106	0.41	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	7.66	0.47	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	283	0.38	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	106	0.41	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	7.66	0.47	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)	3.46	10.25	-13.55	1	7	0	85	341.758	3	↓ MOL2 SDF SMILES Flexibase

13672225

Analogs

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Popular Name: tert-butyl tert-butyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	38	0.29	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	11	0.31	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	54	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	38.2	0.29	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	11.1	0.31	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	53.7	0.28	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	38.2	0.29	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	11.1	0.31	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	53.7	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)	5.46	13.13	-18.85	2	10	0	124	512.998	11	↓ MOL2 SDF SMILES Flexibase

13672402

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	33	0.42	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	38	0.42	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	15	0.44	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	32.5	0.42	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	37.6	0.42	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	14.6	0.44	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	32.5	0.42	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	37.6	0.42	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	14.6	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)	4.02	11.02	-13.17	1	7	0	85	355.785	4	↓ MOL2 SDF SMILES Flexibase

13672404

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	29	0.41	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	49	0.39	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	22	0.41	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	28.9	0.41	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	48.8	0.39	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	21.5	0.41	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	28.9	0.41	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	48.8	0.39	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	21.5	0.41	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)	4.52	11.8	-13.22	1	7	0	85	369.812	5	↓ MOL2 SDF SMILES Flexibase

13672406

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	205	0.36	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	89	0.38	Binding ≤ 10μM
AA2BR-1-E	Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2400	0.30	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	244	0.36	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	205	0.36	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	88.8	0.38	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	244	0.36	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	205	0.36	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	88.8	0.38	Binding ≤ 10μM
AA2BR_HUMAN	P29275	Adenosine A2b Receptor, Human	2400	0.30	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	244	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)	4.28	11.48	-12.46	1	7	0	85	369.812	3	↓ MOL2 SDF SMILES Flexibase

13672407

Analogs

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Popular Name: tert-butyl tert-butyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	190	0.35	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	92	0.36	Binding ≤ 10μM
AA2BR-1-E	Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	2410	0.29	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	83	0.37	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	190	0.35	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	92	0.36	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	82.5	0.37	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	190	0.35	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	92	0.36	Binding ≤ 10μM
AA2BR_HUMAN	P29275	Adenosine A2b Receptor, Human	2410	0.29	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	82.5	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)	4.30	10.8	-10.55	1	8	0	95	385.811	4	↓ MOL2 SDF SMILES Flexibase

13672409

Analogs

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Popular Name: tert-butyl tert-butyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	91	0.30	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	20	0.33	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	33	0.32	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	45.9	0.31	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	135	0.29	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	32.9	0.32	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	45.9	0.31	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	135	0.29	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	32.9	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)	3.94	10.79	-17.34	2	10	0	124	470.917	8	↓ MOL2 SDF SMILES Flexibase

13672410

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	9	0.43	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	14	0.42	Binding ≤ 10μM
AA2BR-1-E	Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	270	0.35	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	81	0.38	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	11.3	0.43	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	1.38	0.48	Binding ≤ 1μM
AA2BR_HUMAN	P29275	Adenosine A2b Receptor, Human	270	0.35	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	80.8	0.38	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	11.3	0.43	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	1.38	0.48	Binding ≤ 10μM
AA2BR_HUMAN	P29275	Adenosine A2b Receptor, Human	270	0.35	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	80.8	0.38	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)	1.93	8.4	-56.48	4	8	1	113	371.808	5	↓ MOL2 SDF SMILES Flexibase

13672412

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	1570	0.39	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	531	0.42	Binding ≤ 10μM
AA2BR-1-E	Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	531	0.42	Binding ≤ 10μM
AA3R-4-E	Adenosine Receptor A3 (cluster #4 Of 6), Eukaryotic	Eukaryotes	64	0.48	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	531	0.42	Binding ≤ 1μM
AA2BR_RAT	P29276	Adenosine A2b Receptor, Rat	531	0.42	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	64	0.48	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	1570	0.39	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	531	0.42	Binding ≤ 10μM
AA2BR_RAT	P29276	Adenosine A2b Receptor, Rat	531	0.42	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	64	0.48	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)	3.82	8.62	-8.85	2	6	0	82	364.59	1	↓ MOL2 SDF SMILES Flexibase

13672414

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	856	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	856	0.29	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	856	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)	5.23	13.27	-11.82	1	7	0	85	468.698	3	↓ MOL2 SDF SMILES Flexibase

13672416

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	1200	0.31	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	200	0.35	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	43	0.38	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	200	0.35	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	42.5	0.38	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	1200	0.31	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	200	0.35	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	42.5	0.38	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)	4.66	12.85	-10.25	1	6	0	68	375.819	4	↓ MOL2 SDF SMILES Flexibase

13672418

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	30	0.34	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	28	0.34	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	14	0.35	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	30.2	0.34	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	28	0.34	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	14.4	0.35	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	30.2	0.34	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	28	0.34	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	14.4	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)	4.44	12.53	-16.41	1	8	0	95	433.855	5	↓ MOL2 SDF SMILES Flexibase

13672420

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	25	0.35	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.38	Binding ≤ 10μM
AA2BR-1-E	Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	7400	0.24	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	4	0.39	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	24.9	0.35	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	6.97	0.38	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	3.56	0.39	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	24.9	0.35	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	6.97	0.38	Binding ≤ 10μM
AA2BR_HUMAN	P29275	Adenosine A2b Receptor, Human	7400	0.24	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	3.56	0.39	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)	3.46	11.11	-15.23	3	8	0	111	418.844	4	↓ MOL2 SDF SMILES Flexibase

13672422

Analogs

602092

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	43	0.34	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	9	0.38	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	32	0.35	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	43	0.34	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	9.43	0.37	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	32.1	0.35	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	43	0.34	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	9.43	0.37	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	32.1	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)	5.04	13.74	-15.24	1	7	0	85	438.274	4	↓ MOL2 SDF SMILES Flexibase

13672424

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	890	0.24	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	453	0.25	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	194	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	890	0.24	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	453	0.25	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	194	0.26	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	890	0.24	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	453	0.25	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	194	0.26	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)	6.22	16.78	-13.41	1	7	0	85	493.954	5	↓ MOL2 SDF SMILES Flexibase

13672426

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	45	0.34	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	28	0.35	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	24	0.36	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	45.2	0.34	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	28.3	0.35	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	23.6	0.36	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	45.2	0.34	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	28.3	0.35	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	23.6	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)	4.90	14.05	-13.36	1	7	0	85	417.856	5	↓ MOL2 SDF SMILES Flexibase

13672428

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	282	0.31	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	60	0.34	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	72	0.33	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	282	0.31	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	59.8	0.34	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	72.1	0.33	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	282	0.31	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	59.8	0.34	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	72.1	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)	4.93	13.75	-13.59	1	7	0	85	415.84	4	↓ MOL2 SDF SMILES Flexibase

13672430

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	55	0.32	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.36	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	83	0.31	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	48.6	0.32	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	18.8	0.34	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	46.3	0.32	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	48.6	0.32	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	18.8	0.34	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	46.3	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)	5.53	10.29	-13.48	2	10	0	124	456.89	6	↓ MOL2 SDF SMILES Flexibase

13672432

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	55	0.32	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.36	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	83	0.31	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	48.6	0.32	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	18.8	0.34	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	46.3	0.32	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	48.6	0.32	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	18.8	0.34	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	46.3	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)	5.53	10.28	-13.46	2	10	0	124	456.89	6	↓ MOL2 SDF SMILES Flexibase

13672436

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	30	0.31	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	4	0.35	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	22	0.32	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	30.1	0.31	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	3.64	0.35	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	22	0.32	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	30.1	0.31	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	3.64	0.35	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	22	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)	4.45	11.57	-19.41	2	10	0	124	484.944	9	↓ MOL2 SDF SMILES Flexibase

13672438

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: tert-butyl tert-butyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	54	0.29	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	34	0.30	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	34	0.30	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	53.8	0.29	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	33.7	0.30	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	33.8	0.30	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	53.8	0.29	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	33.7	0.30	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	33.8	0.30	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)	4.95	12.36	-17.91	2	10	0	124	498.971	10	↓ MOL2 SDF SMILES Flexibase

13672440

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	390	0.36	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	30	0.42	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	1200	0.33	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	193	0.38	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	143	0.38	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	193	0.38	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	143	0.38	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	1140	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)	1.97	5.82	-45.09	3	8	0	119	356.773	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.97	5.43	-46.56	2	8	-1	118	355.765	3	↓ MOL2 SDF SMILES Flexibase

13672441

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	390	0.36	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	30	0.42	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	1200	0.33	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	193	0.38	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	143	0.38	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	193	0.38	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	143	0.38	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	1140	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)	1.97	5.82	-45.07	3	8	0	119	356.773	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.97	5.49	-46.13	2	8	-1	118	355.765	3	↓ MOL2 SDF SMILES Flexibase

13672443

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
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	90	0.39	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	8	0.45	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	874	0.34	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	89.8	0.39	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	7.58	0.45	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	874	0.34	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	89.8	0.39	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	7.58	0.45	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	874	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)	1.66	7.6	-59.09	4	8	1	113	357.781	4	↓ MOL2 SDF SMILES Flexibase

13672445

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
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	7	0.42	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	1	0.47	Binding ≤ 10μM
AA2BR-1-E	Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1770	0.30	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	58	0.38	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	6.99	0.42	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	1.13	0.46	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	57.9	0.38	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	6.99	0.42	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	1.13	0.46	Binding ≤ 10μM
AA2BR_HUMAN	P29275	Adenosine A2b Receptor, Human	1770	0.30	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	57.9	0.38	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)	2.43	9.19	-55.81	4	8	1	113	385.835	6	↓ MOL2 SDF SMILES Flexibase

13672447

Analogs

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	100	0.35	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	10	0.40	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	213	0.33	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	99.6	0.35	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	10.3	0.40	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	213	0.33	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	99.6	0.35	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	10.3	0.40	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	213	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)	2.94	9.97	-54.21	4	8	1	113	399.862	7	↓ MOL2 SDF SMILES Flexibase

13672449

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
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	114	0.34	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	56	0.35	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	346	0.31	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	114	0.34	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	55.9	0.35	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	346	0.31	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	114	0.34	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	55.9	0.35	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	346	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)	3.44	10.75	-53.92	4	8	1	113	413.889	8	↓ MOL2 SDF SMILES Flexibase

13672451

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: benzyl benzyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	304	0.25	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	17	0.30	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	45	0.29	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	304	0.25	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	16.7	0.30	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	44.7	0.29	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	304	0.25	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	16.7	0.30	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	44.7	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)	5.28	16.59	-17.2	1	9	0	112	503.946	10	↓ MOL2 SDF SMILES Flexibase

13672453

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	72	0.36	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	29	0.38	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	55	0.36	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	71.8	0.36	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	28.8	0.38	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	55.1	0.36	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	71.8	0.36	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	28.8	0.38	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	55.1	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)	2.68	11.05	-14.32	1	9	0	112	399.794	6	↓ MOL2 SDF SMILES Flexibase

13672455

Analogs

34699511
34699512

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	47	0.32	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	7	0.36	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	59	0.32	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	46.6	0.32	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	7.43	0.36	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	59	0.32	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	46.6	0.32	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	7.43	0.36	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	59	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)	4.70	14.17	-17.3	1	9	0	112	455.902	10	↓ MOL2 SDF SMILES Flexibase

13672457

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
AA1R-2-E	Adenosine A1 Receptor (cluster #2 Of 4), Eukaryotic	Eukaryotes	45	0.37	Binding ≤ 10μM
AA2AR-1-E	Adenosine A2a Receptor (cluster #1 Of 4), Eukaryotic	Eukaryotes	1	0.45	Binding ≤ 10μM
AA3R-1-E	Adenosine Receptor A3 (cluster #1 Of 6), Eukaryotic	Eukaryotes	81	0.35	Binding ≤ 10μM
AA2BR-1-E	Adenosine A2b Receptor (cluster #1 Of 1), Eukaryotic	Eukaryotes	1900	0.29	Functional ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	45	0.37	Binding ≤ 1μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	1.15	0.45	Binding ≤ 1μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	81.3	0.35	Binding ≤ 1μM
AA1R_RAT	P25099	Adenosine A1 Receptor, Rat	45	0.37	Binding ≤ 10μM
AA2AR_RAT	P30543	Adenosine A2a Receptor, Rat	1.15	0.45	Binding ≤ 10μM
AA3R_HUMAN	P33765	Adenosine A3 Receptor, Human	81.3	0.35	Binding ≤ 10μM
AA2BR_HUMAN	P29275	Adenosine A2b Receptor, Human	1900	0.29	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)	2.87	11.74	-57.07	1	9	-1	125	398.786	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.87	9.76	-20.91	2	9	0	123	399.794	6	↓ MOL2 SDF SMILES Flexibase

58004299

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	2.78	10.16	-12.36	0	6	0	69	316.386	5	↓ MOL2 SDF SMILES Flexibase

58004301

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	2.78	10.17	-12.4	0	6	0	69	316.386	5	↓ MOL2 SDF SMILES Flexibase

58307648

Analogs

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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)	2.42	7.56	-11.53	0	6	0	56	343.456	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.42	9.82	-46.61	1	6	1	57	344.464	4	↓ MOL2 SDF SMILES Flexibase

58307651

Analogs

Draw Identity 99% 90% 80% 70%

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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)	2.42	7.57	-11.53	0	6	0	56	343.456	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.42	9.86	-46.67	1	6	1	57	344.464	4	↓ MOL2 SDF SMILES Flexibase

58522445

Analogs

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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)	3.80	11.93	-16.18	0	6	0	63	383.521	4	↓ MOL2 SDF SMILES Flexibase

58522447

Analogs

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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)	3.80	11.94	-16.06	0	6	0	63	383.521	4	↓ MOL2 SDF SMILES Flexibase

58522471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: ethyl ethyl

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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)	2.65	10.76	-14.94	0	6	0	69	330.413	7	↓ MOL2 SDF SMILES Flexibase

58522473

Analogs

Draw Identity 99% 90% 80% 70%

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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)	4.46	13.42	-17.39	0	7	0	77	433.537	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 11868
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 = 11868 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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<script type="text/javascript" src="//zinc12.docking.org/js/embed.js"></script>
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        "ring.id": "11868"        

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