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ZINC Item

Suppliers, Protomers, & Similar Substances

50064784

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)	2.37	9.12	-29.66	1	5	1	48	288.371	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.37	8.37	-16.13	0	5	0	47	287.363	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.37	10.21	-36.8	1	5	1	48	288.371	5	↓ MOL2 SDF SMILES Flexibase

50064785

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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)	2.37	8.24	-25.16	1	5	1	48	288.371	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.37	7.79	-11.53	0	5	0	47	287.363	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.37	10.53	-89.69	2	5	2	49	289.379	5	↓ MOL2 SDF SMILES Flexibase

50064786

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)	2.37	9.06	-29.49	1	5	1	48	288.371	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.37	8.31	-16.69	0	5	0	47	287.363	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.37	10.95	-91.55	2	5	2	49	289.379	5	↓ MOL2 SDF SMILES Flexibase

50064787

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)	2.37	8.18	-25.27	1	5	1	48	288.371	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.37	7.74	-12.15	0	5	0	47	287.363	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.37	9.94	-32.78	1	5	1	48	288.371	5	↓ MOL2 SDF SMILES Flexibase

53648419

Analogs

42390290
42390294

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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)	1.54	7.88	-85.47	3	4	2	38	260.385	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.54	7.13	-34.22	2	4	1	37	259.377	5	↓ MOL2 SDF SMILES Flexibase

53648420

Analogs

42390290
42390294

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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)	1.54	6.57	-84.81	3	4	2	38	260.385	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.54	6.04	-44.87	2	4	1	37	259.377	5	↓ MOL2 SDF SMILES Flexibase

53648617

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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)	2.05	8.63	-87.23	3	4	2	38	274.412	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.05	7.89	-34.77	2	4	1	37	273.404	6	↓ MOL2 SDF SMILES Flexibase

53648618

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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)	2.05	8.44	-86.9	3	4	2	38	274.412	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.05	8.04	-45.03	2	4	1	37	273.404	6	↓ MOL2 SDF SMILES Flexibase

53648854

Analogs

42390290
42390294

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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)	2.19	8.4	-84.88	3	4	2	38	274.412	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	7.65	-32.54	2	4	1	37	273.404	5	↓ MOL2 SDF SMILES Flexibase

53648856

Analogs

42390290
42390294

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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)	2.19	8.22	-84.57	3	4	2	38	274.412	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.19	7.83	-43.12	2	4	1	37	273.404	5	↓ MOL2 SDF SMILES Flexibase

53649638

Analogs

42390290
42390294

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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	8.83	-84.16	3	4	2	38	288.439	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.70	8.08	-31.66	2	4	1	37	287.431	5	↓ MOL2 SDF SMILES Flexibase

53649641

Analogs

42390290
42390294

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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	8.65	-83.81	3	4	2	38	288.439	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.70	8.25	-41.38	2	4	1	37	287.431	5	↓ MOL2 SDF SMILES Flexibase

53649974

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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)	2.29	9.31	-87.49	3	4	2	38	288.439	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.29	8.58	-34.73	2	4	1	37	287.431	6	↓ MOL2 SDF SMILES Flexibase

53649977

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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)	2.29	9.13	-86.86	3	4	2	38	288.439	6	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.29	8.73	-44.65	2	4	1	37	287.431	6	↓ MOL2 SDF SMILES Flexibase

53650310

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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)	1.15	7.01	-84.89	3	5	2	48	290.411	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.15	4.57	-10.26	1	5	0	42	288.395	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.15	6.27	-33.74	2	5	1	46	289.403	7	↓ MOL2 SDF SMILES Flexibase

53650312

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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)	1.15	6.82	-83.81	3	5	2	48	290.411	7	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.15	5.1	-8.86	1	5	0	42	288.395	7	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.15	6.43	-44.42	2	5	1	46	289.403	7	↓ MOL2 SDF SMILES Flexibase

62936152

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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)	1.74	10.22	-93.21	2	5	1	63	274.344	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.74	7.3	-52.08	0	5	-1	61	272.328	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.74	9.81	-48.4	1	5	0	62	273.336	3	↓ MOL2 SDF SMILES Flexibase

62936153

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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)	1.74	10.26	-93.44	2	5	1	63	274.344	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.74	7.29	-50.83	0	5	-1	61	272.328	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.74	9.78	-45.36	1	5	0	62	273.336	3	↓ MOL2 SDF SMILES Flexibase

62936154

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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)	1.74	10.23	-94	2	5	1	63	274.344	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.74	7.26	-58.56	0	5	-1	61	272.328	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.74	9.73	-51.68	1	5	0	62	273.336	3	↓ MOL2 SDF SMILES Flexibase

62936155

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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)	1.74	10.21	-93.32	2	5	1	63	274.344	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.74	7.24	-51.6	0	5	-1	61	272.328	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.74	9.72	-45.82	1	5	0	62	273.336	3	↓ MOL2 SDF SMILES Flexibase

62936162

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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)	1.34	9.55	-95.77	2	5	1	63	260.317	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.34	6.69	-53.41	0	5	-1	61	258.301	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.34	9.2	-46.02	1	5	0	62	259.309	3	↓ MOL2 SDF SMILES Flexibase

62936163

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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)	1.34	9.62	-94.11	2	5	1	63	260.317	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.34	6.63	-58.55	0	5	-1	61	258.301	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.34	9.09	-51.37	1	5	0	62	259.309	3	↓ MOL2 SDF SMILES Flexibase

62936462

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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)	1.97	9.7	-46.27	1	5	0	62	293.754	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.97	7.19	-50.09	0	5	-1	61	292.746	3	↓ MOL2 SDF SMILES Flexibase

62936463

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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)	1.97	9.68	-48.98	1	5	0	62	293.754	3	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.97	7.11	-49.53	0	5	-1	61	292.746	3	↓ MOL2 SDF SMILES Flexibase

62937169

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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)	2.07	10.72	-88.41	2	5	1	63	288.371	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	7.79	-53.08	0	5	-1	61	286.355	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.07	10.35	-41.69	1	5	0	62	287.363	4	↓ MOL2 SDF SMILES Flexibase

62937170

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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)	2.07	10.67	-92.05	2	5	1	63	288.371	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	7.74	-51.51	0	5	-1	61	286.355	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.07	10.3	-47.35	1	5	0	62	287.363	4	↓ MOL2 SDF SMILES Flexibase

62937171

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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)	2.07	10.66	-88.7	2	5	1	63	288.371	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	7.72	-53.69	0	5	-1	61	286.355	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.07	10.29	-42.08	1	5	0	62	287.363	4	↓ MOL2 SDF SMILES Flexibase

62937172

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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)	2.07	10.61	-91.73	2	5	1	63	288.371	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.07	7.68	-52.3	0	5	-1	61	286.355	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.07	10.24	-47.91	1	5	0	62	287.363	4	↓ MOL2 SDF SMILES Flexibase

62937173

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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)	1.67	10.07	-88.95	2	5	1	63	274.344	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.67	7.14	-53.63	0	5	-1	61	272.328	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.67	9.7	-42.19	1	5	0	62	273.336	4	↓ MOL2 SDF SMILES Flexibase

62937174

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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)	1.67	10.11	-93.1	2	5	1	63	274.344	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.67	7.12	-57.69	0	5	-1	61	272.328	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	1.67	9.58	-50.34	1	5	0	62	273.336	4	↓ MOL2 SDF SMILES Flexibase

62937439

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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)	2.30	10.2	-42.19	1	5	0	62	307.781	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.30	7.64	-50.08	0	5	-1	61	306.773	4	↓ MOL2 SDF SMILES Flexibase

62937440

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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)	2.30	10.09	-50.03	1	5	0	62	307.781	4	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.30	7.63	-53.77	0	5	-1	61	306.773	4	↓ MOL2 SDF SMILES Flexibase

62937959

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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)	2.23	10.83	-88.88	2	5	1	63	288.371	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.23	7.89	-54.08	0	5	-1	61	286.355	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.23	10.47	-42.11	1	5	0	62	287.363	5	↓ MOL2 SDF SMILES Flexibase

62937960

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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)	2.23	10.78	-92.57	2	5	1	63	288.371	5	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	2.23	7.85	-52.89	0	5	-1	61	286.355	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.23	10.41	-48.14	1	5	0	62	287.363	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 9446
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 = 9446 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=9446&filter.purchasability=annotated

Embed Link to Results

<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": "9446"        

    });
</script>

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