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62798266

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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)	0.43	3.66	-49.72	3	5	1	76	274.344	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.43	3.34	-8.32	2	5	0	74	273.336	4	↓ MOL2 SDF SMILES Flexibase

62798267

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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)	0.43	3.65	-51.38	3	5	1	76	274.344	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.43	3.34	-9.38	2	5	0	74	273.336	4	↓ MOL2 SDF SMILES Flexibase

62798328

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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)	0.45	3.82	-49.72	3	5	1	76	274.344	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.45	3.51	-8.14	2	5	0	74	273.336	5	↓ MOL2 SDF SMILES Flexibase

62798329

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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)	0.45	3.81	-51.38	3	5	1	76	274.344	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	0.45	3.51	-9.19	2	5	0	74	273.336	5	↓ MOL2 SDF SMILES Flexibase

62798340

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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)	-0.05	3.05	-50.18	3	5	1	76	260.317	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.05	2.74	-8.68	2	5	0	74	259.309	4	↓ MOL2 SDF SMILES Flexibase

62798341

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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)	-0.05	3.04	-51.79	3	5	1	76	260.317	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.05	2.74	-9.71	2	5	0	74	259.309	4	↓ MOL2 SDF SMILES Flexibase

62798430

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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)	-0.63	2.3	-50.85	3	5	1	76	246.29	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.63	1.98	-9.51	2	5	0	74	245.282	3	↓ MOL2 SDF SMILES Flexibase

62798431

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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)	-0.63	2.29	-52.45	3	5	1	76	246.29	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.63	1.98	-10.51	2	5	0	74	245.282	3	↓ MOL2 SDF SMILES Flexibase

62798432

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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)	-0.85	1.54	-50.96	3	5	1	76	232.263	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.85	1.23	-10.03	2	5	0	74	231.255	3	↓ MOL2 SDF SMILES Flexibase

62798433

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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)	-0.85	1.54	-53.15	3	5	1	76	232.263	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	-0.85	1.24	-10.97	2	5	0	74	231.255	3	↓ MOL2 SDF SMILES Flexibase

62798904

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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)	2.68	5.31	-44.57	2	5	1	65	288.371	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.68	4.06	-8.06	1	5	0	60	287.363	5	↓ MOL2 SDF SMILES Flexibase

62798905

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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)	2.68	5.45	-45.49	2	5	1	65	288.371	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.68	3.97	-8.93	1	5	0	60	287.363	5	↓ MOL2 SDF SMILES Flexibase

62798956

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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)	2.70	5.48	-44.56	2	5	1	65	288.371	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.70	4.22	-7.9	1	5	0	60	287.363	6	↓ MOL2 SDF SMILES Flexibase

62798957

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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)	2.70	5.62	-45.44	2	5	1	65	288.371	6	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.70	4.13	-8.8	1	5	0	60	287.363	6	↓ MOL2 SDF SMILES Flexibase

62798968

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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)	2.20	4.71	-44.97	2	5	1	65	274.344	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.20	3.45	-8.47	1	5	0	60	273.336	5	↓ MOL2 SDF SMILES Flexibase

62798969

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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)	2.20	4.85	-45.87	2	5	1	65	274.344	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.20	3.36	-9.34	1	5	0	60	273.336	5	↓ MOL2 SDF SMILES Flexibase

62799050

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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)	1.63	3.95	-45.69	2	5	1	65	260.317	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.63	2.69	-9.21	1	5	0	60	259.309	4	↓ MOL2 SDF SMILES Flexibase

62799051

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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)	1.63	4.09	-46.53	2	5	1	65	260.317	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.63	2.61	-10.06	1	5	0	60	259.309	4	↓ MOL2 SDF SMILES Flexibase

62799052

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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)	1.40	3.19	-46.16	2	5	1	65	246.29	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.40	1.95	-9.79	1	5	0	60	245.282	4	↓ MOL2 SDF SMILES Flexibase

62799053

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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)	1.40	3.34	-47.02	2	5	1	65	246.29	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.40	1.88	-10.66	1	5	0	60	245.282	4	↓ MOL2 SDF SMILES Flexibase

62799474

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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)	2.58	5.53	-43.52	2	5	1	65	288.371	6	↓ MOL2 SDF SMILES Flexibase

62799475

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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)	2.58	5.69	-44.45	2	5	1	65	288.371	6	↓ MOL2 SDF SMILES Flexibase

62799532

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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)	2.00	4.78	-44.12	2	5	1	65	274.344	5	↓ MOL2 SDF SMILES Flexibase

62799533

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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)	2.00	4.95	-45.09	2	5	1	65	274.344	5	↓ MOL2 SDF SMILES Flexibase

62799534

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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)	1.78	4.03	-44.65	2	5	1	65	260.317	5	↓ MOL2 SDF SMILES Flexibase

62799535

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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)	1.78	4.2	-45.58	2	5	1	65	260.317	5	↓ MOL2 SDF SMILES Flexibase

62799904

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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)	2.51	5.54	-44.8	2	5	1	65	288.371	6	↓ MOL2 SDF SMILES Flexibase

62799905

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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)	2.51	5.71	-45.87	2	5	1	65	288.371	6	↓ MOL2 SDF SMILES Flexibase

62799906

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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)	2.28	4.79	-45.33	2	5	1	65	274.344	6	↓ MOL2 SDF SMILES Flexibase

62799907

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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)	2.28	4.96	-46.35	2	5	1	65	274.344	6	↓ MOL2 SDF SMILES Flexibase

62800438

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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)	1.07	1.67	-11.61	1	5	0	68	246.266	3	↓ MOL2 SDF SMILES Flexibase

62800439

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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)	1.07	1.68	-11.59	1	5	0	68	246.266	3	↓ MOL2 SDF SMILES Flexibase

62800440

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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)	0.85	0.92	-12.33	1	5	0	68	232.239	3	↓ MOL2 SDF SMILES Flexibase

62800441

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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)	0.85	0.93	-12.05	1	5	0	68	232.239	3	↓ MOL2 SDF SMILES Flexibase

62800606

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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)	2.13	3.03	-10.49	1	5	0	68	274.32	4	↓ MOL2 SDF SMILES Flexibase

62800607

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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)	2.13	3.04	-10.4	1	5	0	68	274.32	4	↓ MOL2 SDF SMILES Flexibase

62800666

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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)	2.15	3.2	-10.38	1	5	0	68	274.32	5	↓ MOL2 SDF SMILES Flexibase

62800667

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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)	2.15	3.2	-10.33	1	5	0	68	274.32	5	↓ MOL2 SDF SMILES Flexibase

62800682

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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)	1.65	2.43	-10.84	1	5	0	68	260.293	4	↓ MOL2 SDF SMILES Flexibase

62800683

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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)	1.65	2.43	-10.81	1	5	0	68	260.293	4	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 273314
filter.purchasability = annotated
page.format = targets
page.num = 1

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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 = 273314 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

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//zinc12.docking.org/results/combination?ring.id=273314&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": "273314"        

    });
</script>

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