ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

20130203

Analogs

13751021

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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)	3.98	10.16	-10.15	0	8	0	87	488.635	6	↓ MOL2 SDF SMILES Flexibase

20130205

Analogs

13751021

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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)	3.98	10.16	-10.17	0	8	0	87	488.635	6	↓ MOL2 SDF SMILES Flexibase

20130446

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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)	5.14	10.69	-8.41	1	6	0	63	425.602	6	↓ MOL2 SDF SMILES Flexibase

53307194

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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)	4.24	9.81	-15.27	1	9	0	99	551.694	6	↓ MOL2 SDF SMILES Flexibase

19996192

Analogs

19851343
19939619

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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)	4.26	8.97	-7.35	0	6	0	60	430.599	4	↓ MOL2 SDF SMILES Flexibase

20358091

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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)	6.06	9.69	-8.93	1	7	0	72	487.695	7	↓ MOL2 SDF SMILES Flexibase

20358140

Analogs

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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)	2.61	9.64	-41.36	0	9	-1	110	515.637	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.15	9.72	-9.71	0	9	0	104	516.645	7	↓ MOL2 SDF SMILES Flexibase

20358212

Analogs

20814615
34638468
19939212

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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)	2.14	3.56	-10.14	1	9	0	87	484.626	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.14	5.93	-44.13	2	9	1	88	485.634	4	↓ MOL2 SDF SMILES Flexibase

20358257

Analogs

34632145

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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)	3.69	10.56	-43.42	2	8	1	77	485.678	8	↓ MOL2 SDF SMILES Flexibase

20358263

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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)	3.25	6.87	-9.01	0	8	0	73	501.678	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.25	9.2	-45.95	1	8	1	74	502.686	5	↓ MOL2 SDF SMILES Flexibase

20358281

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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)	6.04	9.97	-8.05	0	6	0	60	488.704	5	↓ MOL2 SDF SMILES Flexibase

20358295

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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)	4.22	5.35	-10.44	1	7	0	81	478.665	5	↓ MOL2 SDF SMILES Flexibase

20358301

Analogs

20841793

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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)	1.98	5.83	-52.4	4	8	1	100	443.597	6	↓ MOL2 SDF SMILES Flexibase

20358320

Analogs

8660938

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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)	2.63	5	-10.61	1	8	0	84	443.573	5	↓ MOL2 SDF SMILES Flexibase

20358332

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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)	5.26	8.98	-8.35	0	7	0	64	485.679	3	↓ MOL2 SDF SMILES Flexibase

20358341

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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)	5.32	9.11	-9.02	1	7	0	72	473.668	5	↓ MOL2 SDF SMILES Flexibase

20358342

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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)	5.32	9.11	-9.01	1	7	0	72	473.668	5	↓ MOL2 SDF SMILES Flexibase

20358367

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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)	4.04	11.21	-13.08	0	7	0	71	485.679	6	↓ MOL2 SDF SMILES Flexibase

20358392

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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)	4.74	8.17	-10.02	1	8	0	82	503.694	8	↓ MOL2 SDF SMILES Flexibase

20358402

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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)	3.62	4	-11.45	1	9	0	87	530.72	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.62	6.4	-41.64	2	9	1	88	531.728	5	↓ MOL2 SDF SMILES Flexibase

20358408

Analogs

2398617
2401723

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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)	4.82	5.6	-11.61	1	7	0	75	487.695	5	↓ MOL2 SDF SMILES Flexibase

20358411

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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)	4.25	12.01	-43.04	2	7	1	68	469.679	8	↓ MOL2 SDF SMILES Flexibase

20358412

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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)	5.10	11.1	-8.18	1	6	0	63	437.613	3	↓ MOL2 SDF SMILES Flexibase

20358555

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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)	4.94	10.19	-13.73	0	7	0	77	518.73	7	↓ MOL2 SDF SMILES Flexibase

20358644

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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)	5.70	12.78	-8.81	0	6	0	60	506.697	6	↓ MOL2 SDF SMILES Flexibase

20358794

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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)	2.73	9.96	-51.9	2	7	1	71	425.582	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.73	8.67	-8.99	1	7	0	66	424.574	2	↓ MOL2 SDF SMILES Flexibase

13282012

Analogs

2388717
2399149
8818299

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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)	6.50	12.14	-7.26	0	4	0	48	429.655	6	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	6.50	12.41	-28.05	1	4	1	49	430.663	6	↓ MOL2 SDF SMILES Flexibase

1786154

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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)	5.48	-2.34	-7.64	0	5	0	57	385.533	5	↓ MOL2 SDF SMILES Flexibase

1790183

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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)	6.38	14.49	-15.15	1	6	0	77	554.741	7	↓ MOL2 SDF SMILES Flexibase

4888621

Analogs

2316851

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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)	4.40	-3.92	-45.94	0	4	-1	47	344.485	2	↓ MOL2 SDF SMILES Flexibase

4889403

Analogs

2293936

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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)	4.63	-2.22	-41.63	2	6	1	64	428.626	7	↓ MOL2 SDF SMILES Flexibase

64538980

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE4B-1-E	Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic	Eukaryotes	51	0.34	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	51	0.34	Binding ≤ 1μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	51	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)	2.42	5.13	-10.4	2	8	0	84	428.562	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.42	7.39	-46.22	3	8	1	86	429.57	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.42	7.76	-82.56	4	8	2	87	430.578	5	↓ MOL2 SDF SMILES Flexibase

64539813

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE4B-1-E	Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic	Eukaryotes	284	0.27	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	284	0.27	Binding ≤ 1μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	284	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)	3.57	11.11	-43.34	2	8	1	77	483.662	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	3.57	8.89	-7.8	1	8	0	76	482.654	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.57	11.56	-79.13	3	8	2	78	484.67	5	↓ MOL2 SDF SMILES Flexibase

64540184

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE4A-1-E	Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic	Eukaryotes	20	0.35	Binding ≤ 10μM
PDE4B-1-E	Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic	Eukaryotes	45	0.33	Binding ≤ 10μM
PDE4D-1-E	Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic	Eukaryotes	25	0.34	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE4A_HUMAN	P27815	Phosphodiesterase 4A, Human	20	0.35	Binding ≤ 1μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	45	0.33	Binding ≤ 1μM
PDE4D_HUMAN	Q08499	Phosphodiesterase 4D, Human	25	0.34	Binding ≤ 1μM
PDE4A_HUMAN	P27815	Phosphodiesterase 4A, Human	20	0.35	Binding ≤ 10μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	45	0.33	Binding ≤ 10μM
PDE4D_HUMAN	Q08499	Phosphodiesterase 4D, Human	25	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)	2.67	6.85	-9.36	1	8	0	76	442.589	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.67	9.1	-45.94	2	8	1	77	443.597	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.67	9.56	-79.34	3	8	2	78	444.605	5	↓ MOL2 SDF SMILES Flexibase

64540325

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE4A-1-E	Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic	Eukaryotes	5	0.28	Binding ≤ 10μM
PDE4B-1-E	Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic	Eukaryotes	5	0.28	Binding ≤ 10μM
PDE4D-1-E	Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic	Eukaryotes	19	0.26	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE4A_HUMAN	P27815	Phosphodiesterase 4A, Human	5	0.28	Binding ≤ 1μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	4.5	0.29	Binding ≤ 1μM
PDE4D_HUMAN	Q08499	Phosphodiesterase 4D, Human	19	0.26	Binding ≤ 1μM
PDE4A_HUMAN	P27815	Phosphodiesterase 4A, Human	5	0.28	Binding ≤ 10μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	4.5	0.29	Binding ≤ 10μM
PDE4D_HUMAN	Q08499	Phosphodiesterase 4D, Human	19	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)	2.92	10.04	-11.85	0	10	0	89	575.739	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.92	12.33	-49.54	1	10	1	90	576.747	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	2.92	12.78	-100.87	2	10	2	91	577.755	7	↓ MOL2 SDF SMILES Flexibase

64548397

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Clustered Target Annotations
Code	Description	Organism Class	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE4A-1-E	Phosphodiesterase 4A (cluster #1 Of 3), Eukaryotic	Eukaryotes	67	0.29	Binding ≤ 10μM
PDE4B-1-E	Phosphodiesterase 4B (cluster #1 Of 2), Eukaryotic	Eukaryotes	40	0.30	Binding ≤ 10μM
PDE4D-1-E	Phosphodiesterase 4D (cluster #1 Of 2), Eukaryotic	Eukaryotes	119	0.28	Binding ≤ 10μM

ChEMBL Target Annotations
Uniprot	Swissprot	Description	Affinity (nM)	LE (kcal/mol/atom)	Type
PDE4A_HUMAN	P27815	Phosphodiesterase 4A, Human	67	0.29	Binding ≤ 1μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	40	0.30	Binding ≤ 1μM
PDE4D_HUMAN	Q08499	Phosphodiesterase 4D, Human	119	0.28	Binding ≤ 1μM
PDE4A_HUMAN	P27815	Phosphodiesterase 4A, Human	67	0.29	Binding ≤ 10μM
PDE4B_HUMAN	Q07343	Phosphodiesterase 4B, Human	40	0.30	Binding ≤ 10μM
PDE4D_HUMAN	Q08499	Phosphodiesterase 4D, Human	119	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)	4.04	10.29	-9.66	1	8	0	82	491.617	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.04	10.73	-27.57	2	8	1	83	492.625	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 26169
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 = 26169 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": "26169"        

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