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ZINC Item

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10508072

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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)	4.47	-0.24	-11.17	1	3	0	41	314.385	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.47	-0.2	-36.44	2	3	1	43	315.393	2	↓ MOL2 SDF SMILES Flexibase

10509018

Analogs

31979070

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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)	3.96	-0.21	-13.2	1	6	0	69	386.473	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.96	-0.17	-39.92	2	6	1	70	387.481	5	↓ MOL2 SDF SMILES Flexibase

10509241

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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)	5.36	-0.56	-8.55	1	3	0	41	344.867	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.36	-0.52	-33.74	2	3	1	43	345.875	2	↓ MOL2 SDF SMILES Flexibase

10510677

Analogs

25388677
31979070

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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	0.1	-9.34	1	3	0	41	338.476	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.32	0.14	-33.42	2	3	1	43	339.484	3	↓ MOL2 SDF SMILES Flexibase

10519278

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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)	4.71	-0.81	-10.47	1	4	0	51	340.448	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.71	-0.77	-32.98	2	4	1	52	341.456	4	↓ MOL2 SDF SMILES Flexibase

10519586

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Popular Name: methyl methyl

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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)	4.47	0.15	-15.87	1	5	0	68	354.431	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.47	0.19	-40.45	2	5	1	69	355.439	4	↓ MOL2 SDF SMILES Flexibase

10519661

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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)	5.51	-1.16	-8.72	1	3	0	42	389.318	2	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.51	-1.12	-34.57	2	3	1	43	390.326	2	↓ MOL2 SDF SMILES Flexibase

10519675

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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)	4.05	-0.59	-15.78	1	5	0	62	395.528	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.05	-0.55	-41.92	2	5	1	63	396.536	5	↓ MOL2 SDF SMILES Flexibase

10519727

Analogs

25950411

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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)	4.31	-4.51	-14.95	1	6	0	79	431.583	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.31	-4.47	-41.33	2	6	1	80	432.591	5	↓ MOL2 SDF SMILES Flexibase

35254084

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Popular Name: methyl methyl

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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)	2.36	4.36	-12.06	5	8	0	144	367.39	4	↓ MOL2 SDF SMILES Flexibase

20000479

Analogs

39335101
39335112
39335627
39335630
39335636

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Notice: Undefined index: field_name in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 244

Notice: Undefined index: synonym in /domains/zinc12/htdocs/lib/zinc/reporter/ZincAuxiliaryInfoReports.php on line 245

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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)	2.31	3.47	-10.13	5	6	0	118	345.334	2	↓ MOL2 SDF SMILES Flexibase

20000499

Analogs

33698156

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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	3.35	-13.48	5	6	0	118	327.344	2	↓ MOL2 SDF SMILES Flexibase

20000503

Analogs

39335109
39335124

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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)	1.69	2.45	-16.29	5	9	0	146	399.432	5	↓ MOL2 SDF SMILES Flexibase

20000511

Analogs

39335124
39335131
39335690
39335693
39335698

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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)	2.72	3.26	-12.32	5	7	0	127	373.825	3	↓ MOL2 SDF SMILES Flexibase

20000632

Analogs

39335082
39335085
39335088
39335095
39335104

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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)	3.11	4.43	-12.63	5	6	0	118	357.826	2	↓ MOL2 SDF SMILES Flexibase

20613879

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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	6.46	-13.88	3	8	0	123	426.376	5	↓ MOL2 SDF SMILES Flexibase

13260328

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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)	5.03	8.19	-53.27	1	5	-1	82	373.841	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.03	8.46	-57.97	2	5	0	83	374.849	3	↓ MOL2 SDF SMILES Flexibase

13260518

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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)	5.16	8.3	-53.26	1	5	-1	82	418.292	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.16	8.56	-57.87	2	5	0	83	419.3	3	↓ MOL2 SDF SMILES Flexibase

13261071

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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)	3.99	6.91	-55.97	1	7	-1	101	399.448	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.99	7.17	-61.38	2	7	0	102	400.456	5	↓ MOL2 SDF SMILES Flexibase

13261502

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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)	4.37	7.66	-57.89	1	5	-1	82	339.396	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.37	7.92	-61.97	2	5	0	83	340.404	3	↓ MOL2 SDF SMILES Flexibase

13281383

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Popular Name: methyl methyl

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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)	3.53	6.35	-12.95	3	6	0	94	355.419	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.53	6.6	-39.71	4	6	1	96	356.427	4	↓ MOL2 SDF SMILES Flexibase

13282602

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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)	4.56	8.06	-10	3	4	0	68	351.475	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.56	8.32	-33.16	4	4	1	69	352.483	4	↓ MOL2 SDF SMILES Flexibase

13282603

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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)	4.51	8.21	-9.83	3	4	0	68	351.475	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.51	8.47	-33.83	4	4	1	69	352.483	4	↓ MOL2 SDF SMILES Flexibase

13282604

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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)	4.38	9.78	-9.87	3	4	0	68	379.529	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.38	10.03	-32.95	4	4	1	69	380.537	4	↓ MOL2 SDF SMILES Flexibase

13425903

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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)	5.03	8.2	-52.18	1	5	-1	82	373.841	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	5.03	8.47	-56.42	2	5	0	83	374.849	3	↓ MOL2 SDF SMILES Flexibase

13428639

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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)	4.51	7.75	-51.64	1	5	-1	82	357.386	3	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.51	8.02	-56.2	2	5	0	83	358.394	3	↓ MOL2 SDF SMILES Flexibase

950116

Analogs

5393209

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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)	4.16	-2.32	-10.88	3	5	0	77	355.463	4	↓ MOL2 SDF SMILES Flexibase

950123

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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	-2.95	-8.95	3	4	0	68	437.306	2	↓ MOL2 SDF SMILES Flexibase

950124

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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	-1.34	-16	3	6	0	94	383.473	5	↓ MOL2 SDF SMILES Flexibase

950125

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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)	4.27	-1.34	-12.89	3	6	0	94	383.473	5	↓ MOL2 SDF SMILES Flexibase

950126

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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)	3.91	-1.6	-12.74	3	6	0	94	369.446	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.91	-1.56	-39.59	4	6	1	95	370.454	5	↓ MOL2 SDF SMILES Flexibase

950127

Analogs

32117777

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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	-1.07	-14.15	3	6	0	94	369.446	5	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.04	-1.04	-34.65	4	6	1	95	370.454	5	↓ MOL2 SDF SMILES Flexibase

950128

Analogs

32117777
39327460

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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)	3.67	-1.05	-14.34	3	6	0	94	355.419	4	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	3.67	-1.01	-34.96	4	6	1	95	356.427	4	↓ MOL2 SDF SMILES Flexibase

950129

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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)	3.88	-1.6	-15.71	3	6	0	94	369.446	5	↓ MOL2 SDF SMILES Flexibase

950130

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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)	3.51	-1.57	-15.95	3	6	0	94	355.419	4	↓ MOL2 SDF SMILES Flexibase

950131

Analogs

32117831

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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)	4.03	-2.71	-12.51	3	5	0	77	361.854	3	↓ MOL2 SDF SMILES Flexibase

950132

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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)	4.65	-2.73	-8.31	3	4	0	68	366.273	2	↓ MOL2 SDF SMILES Flexibase

950135

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39327475
39335710

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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	6.6	-33.76	4	5	1	78	376.889	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.40	6.2	-9.9	3	5	0	77	375.881	3	↓ MOL2 SDF SMILES Flexibase

950137

Analogs

5393209

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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)	2.86	-4.64	-12.58	4	5	0	88	313.382	2	↓ MOL2 SDF SMILES Flexibase

950138

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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)	4.41	-0.59	-10.76	2	4	0	59	339.464	3	↓ MOL2 SDF SMILES Flexibase

65529827

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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)	4.76	8.73	-9.48	1	4	0	45	415.387	4	↓ MOL2 SDF SMILES Flexibase

67239997

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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)	2.64	5.76	-58.32	3	6	-1	108	326.357	3	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	2.64	6.16	-62.5	4	6	0	109	327.365	3	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 9530
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 = 9530 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=9530&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": "9530"        

    });
</script>

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