ZINC 12

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ZINC Item

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52875471

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[isopropyl(methyl)amino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide 2-[isopropyl(methyl)amino]-N-spi…

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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	8.34	-42.17	2	5	1	52	319.425	4	↓ MOL2 SDF SMILES Flexibase

12854876

Analogs

37990878

Draw Identity 99% 90% 80% 70%

Popular Name: 2-fluoro-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 2-fluoro-N-spiro[1,3-benzodioxol…

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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)	4.81	8.77	-17.36	1	4	0	48	327.355	2	↓ MOL2 SDF SMILES Flexibase

22703909

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 1-ethyl-2,3-dioxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4H-quinoxaline-6-carboxamide 1-ethyl-2,3-dioxo-N-spiro[1,3-be…

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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)	3.36	8.25	-26.48	2	8	0	102	421.453	3	↓ MOL2 SDF SMILES Flexibase

22703912

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylbutanamide N-spiro[1,3-benzodioxole-2,1'-cy…

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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)	4.42	7.14	-14.46	1	4	0	48	275.348	3	↓ MOL2 SDF SMILES Flexibase

22703915

Analogs

5792081

Draw Identity 99% 90% 80% 70%

Popular Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylpropanamide N-spiro[1,3-benzodioxole-2,1'-cy…

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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)	3.86	6.38	-14.73	1	4	0	48	261.321	2	↓ MOL2 SDF SMILES Flexibase

22703918

Analogs

31882921

Draw Identity 99% 90% 80% 70%

Popular Name: 4-dimethylamino-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-dimethylamino-N-spiro[1,3-benz…

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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)	4.80	9.07	-15.92	1	5	0	51	352.434	3	↓ MOL2 SDF SMILES Flexibase

22703921

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-1H-benzotriazole-5-carboxamide N-spiro[1,3-benzodioxole-2,1'-cy…

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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)	4.02	5.87	-24.87	2	7	0	89	350.378	2	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	4.02	5.66	-48.7	1	7	-1	87	349.37	2	↓ MOL2 SDF SMILES Flexibase

22703924

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-5-(methylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 3,4-dimethyl-5-(methylsulfamoyl)…

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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)	4.52	6.45	-26.7	2	7	0	94	430.526	4	↓ MOL2 SDF SMILES Flexibase

22703926

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4-oxoquinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-(4-oxoquinazolin-3-yl)-N-spiro…

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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)	5.08	12.69	-24.41	1	7	0	82	453.498	3	↓ MOL2 SDF SMILES Flexibase

22703929

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(4,4-dimethyl-2,5-dioxo-imidazolidin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-butanam 4-(4,4-dimethyl-2,5-dioxo-imidaz…

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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)	3.20	6.45	-24.26	2	8	0	97	401.463	5	↓ MOL2 SDF SMILES Flexibase

22703932

Analogs

9216950

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(1-propyl-5-sulfamoyl-benzimidazol-2-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanami 3-(1-propyl-5-sulfamoyl-benzimid…

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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	6.83	-26.98	3	9	0	126	498.605	7	↓ MOL2 SDF SMILES Flexibase
Lo Low (pH 4.5-6)	4.27	7.23	-54.56	4	9	1	127	499.613	7	↓ MOL2 SDF SMILES Flexibase

22703935

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propa 3-[3-(p-tolyl)-5-thioxo-1H-1,2,4…

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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)	4.95	12.29	-21.16	2	7	0	81	450.564	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.68	12.13	-55.53	1	7	-1	78	449.556	5	↓ MOL2 SDF SMILES Flexibase

22703937

Analogs

25444132

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propa 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4…

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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)	4.93	12.31	-19.7	2	7	0	81	450.564	5	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.65	12.15	-53.11	1	7	-1	78	449.556	5	↓ MOL2 SDF SMILES Flexibase

22703940

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-[(isopropylcarbamoylamino)methyl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-[(isopropylcarbamoylamino)meth…

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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)	4.58	7.97	-22.67	3	7	0	89	423.513	5	↓ MOL2 SDF SMILES Flexibase

22703943

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,5-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide 3,5-dimethyl-N-[2-oxo-2-(spiro[1…

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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)	4.99	8.47	-15.85	2	6	0	77	394.471	4	↓ MOL2 SDF SMILES Flexibase

22703946

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-ethoxy-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide 2-ethoxy-N-[2-oxo-2-(spiro[1,3-b…

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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	8.64	-18.62	2	7	0	86	410.47	6	↓ MOL2 SDF SMILES Flexibase

22703949

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]furan-2-carboxamide N-[2-oxo-2-(spiro[1,3-benzodioxo…

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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)	3.43	5.17	-16.71	2	7	0	90	356.378	4	↓ MOL2 SDF SMILES Flexibase

22703952

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-bromo-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide 3-bromo-N-[2-oxo-2-(spiro[1,3-be…

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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)	4.95	7.77	-16.16	2	6	0	77	445.313	4	↓ MOL2 SDF SMILES Flexibase

22703955

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3,4-dimethyl-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide 3,4-dimethyl-N-[2-oxo-2-(spiro[1…

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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)	4.99	8.48	-16.15	2	6	0	77	394.471	4	↓ MOL2 SDF SMILES Flexibase

22703958

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide 3-(4-oxo-2-thioxo-1H-quinazolin-…

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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	10.39	-23.17	2	7	0	85	437.521	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.71	9.97	-48.69	1	7	-1	82	436.513	4	↓ MOL2 SDF SMILES Flexibase

22703961

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-(dimethylsulfamoyl)-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide 3-(dimethylsulfamoyl)-N-[2-oxo-2…

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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)	3.46	5.22	-22.44	2	9	0	114	473.551	6	↓ MOL2 SDF SMILES Flexibase

22703964

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-oxopyrrolidin-1-yl)-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzam 4-(2-oxopyrrolidin-1-yl)-N-[2-ox…

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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	8.28	-21.85	2	8	0	97	449.507	5	↓ MOL2 SDF SMILES Flexibase

22703967

Analogs

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Popular Name: 2-(4-oxo-2,3-dihydro-1,5-benzoxazepin-5-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamid 2-(4-oxo-2,3-dihydro-1,5-benzoxa…

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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)	3.87	8.8	-15.69	1	7	0	77	408.454	3	↓ MOL2 SDF SMILES Flexibase

22703970

Analogs

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Popular Name: 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-aceta 2-[3-(m-tolyl)-5-thioxo-1H-1,2,4…

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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)	4.66	11.71	-26.7	2	7	0	81	436.537	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.38	11.55	-67.6	1	7	-1	78	435.529	4	↓ MOL2 SDF SMILES Flexibase

22703973

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]acet N-spiro[1,3-benzodioxole-2,1'-cy…

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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)	4.01	10.39	-25.73	2	7	0	81	428.539	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	4.74	10.23	-65.05	1	7	-1	78	427.531	4	↓ MOL2 SDF SMILES Flexibase

22703976

Analogs

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Popular Name: 3-(4-fluorophenyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-thioxo-1H-imidazole-4-carboxami 3-(4-fluorophenyl)-N-spiro[1,3-b…

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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	11.36	-18.06	2	6	0	68	425.485	3	↓ MOL2 SDF SMILES Flexibase

22703979

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-phenyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-thioxo-1H-imidazole-4-carboxamide 3-phenyl-N-spiro[1,3-benzodioxol…

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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	11.29	-18.73	2	6	0	68	407.495	3	↓ MOL2 SDF SMILES Flexibase

22703982

Analogs

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Popular Name: 2-[3-(p-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-aceta 2-[3-(p-tolyl)-5-thioxo-1H-1,2,4…

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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)	4.68	11.71	-21.13	2	7	0	81	436.537	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	5.41	11.55	-58.1	1	7	-1	78	435.529	4	↓ MOL2 SDF SMILES Flexibase

22703987

Analogs

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Popular Name: 2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetami 2-(3,5-dimethyl-1-phenyl-pyrazol…

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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	10.7	-16.2	1	7	0	82	431.492	4	↓ MOL2 SDF SMILES Flexibase

22703990

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methyl-4-oxo-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-sulfanyl-quinazoline-7-carboxamide 3-methyl-4-oxo-N-spiro[1,3-benzo…

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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)	4.23	9.26	-51.2	1	7	-1	88	422.486	2	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.77	9.67	-22.6	2	7	0	85	423.494	2	↓ MOL2 SDF SMILES Flexibase

22703992

Analogs

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Popular Name: 1-acetyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-indoline-5-carboxamide 1-acetyl-N-spiro[1,3-benzodioxol…

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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)	4.13	9.73	-19.75	1	6	0	68	392.455	2	↓ MOL2 SDF SMILES Flexibase

22703996

Analogs

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Popular Name: 4-methoxy-3-(2-methoxyethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-methoxy-3-(2-methoxyethylsulfa…

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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	4.72	-27.28	2	9	0	112	476.551	8	↓ MOL2 SDF SMILES Flexibase

22703999

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-methyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-5-sulfamoyl-benzamide 2-methyl-N-spiro[1,3-benzodioxol…

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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)	3.77	4.26	-20.85	3	7	0	108	402.472	3	↓ MOL2 SDF SMILES Flexibase

22704002

Analogs

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Popular Name: 3-(allylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 3-(allylsulfamoyl)-N-spiro[1,3-b…

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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	6.36	-24.4	2	7	0	94	428.51	6	↓ MOL2 SDF SMILES Flexibase

22704005

Analogs

9727808
9727810

Draw Identity 99% 90% 80% 70%

Popular Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4-[[(2S)-tetrahydrofuran-2-yl]methylsulfamoyl]benzam N-spiro[1,3-benzodioxole-2,1'-cy…

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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)	4.14	6.02	-21.97	2	8	0	103	472.563	6	↓ MOL2 SDF SMILES Flexibase

22704008

Analogs

9727808
9727810

Draw Identity 99% 90% 80% 70%

Popular Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-4-[[(2R)-tetrahydrofuran-2-yl]methylsulfamoyl]benzam N-spiro[1,3-benzodioxole-2,1'-cy…

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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)	4.14	6.09	-23.64	2	8	0	103	472.563	6	↓ MOL2 SDF SMILES Flexibase

22704012

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(ethylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-(ethylsulfamoyl)-N-spiro[1,3-b…

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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)	4.14	5.78	-20.95	2	7	0	94	416.499	5	↓ MOL2 SDF SMILES Flexibase

22704016

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(allylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-(allylsulfamoyl)-N-spiro[1,3-b…

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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	6.34	-20.72	2	7	0	94	428.51	6	↓ MOL2 SDF SMILES Flexibase

22704028

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-fluoro-N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]benzamide 4-fluoro-N-[2-oxo-2-(spiro[1,3-b…

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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)	4.33	7.22	-15.43	2	6	0	77	384.407	4	↓ MOL2 SDF SMILES Flexibase

22704032

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-oxo-2-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)ethyl]-2-phenoxy-acetamide N-[2-oxo-2-(spiro[1,3-benzodioxo…

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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)	4.14	7.74	-19.02	2	7	0	86	396.443	6	↓ MOL2 SDF SMILES Flexibase

22704036

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-propanamide (2S)-2-[(4-methoxyphenyl)sulfony…

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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)	4.06	5.13	-21.43	2	8	0	103	446.525	6	↓ MOL2 SDF SMILES Flexibase

22704040

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 3-methanesulfonamido-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 3-methanesulfonamido-N-spiro[1,3…

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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)	3.90	5.36	-29.66	2	7	0	94	402.472	4	↓ MOL2 SDF SMILES Flexibase
Mid Mid (pH 6-8)	3.90	5.43	-58.78	1	7	-1	96	401.464	4	↓ MOL2 SDF SMILES Flexibase

22704044

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(methylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-(methylsulfamoyl)-N-spiro[1,3-…

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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)	3.76	4.94	-21.43	2	7	0	94	402.472	4	↓ MOL2 SDF SMILES Flexibase

22704052

Analogs

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Popular Name: 2,4-dichloro-5-(cyclopropylsulfamoyl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 2,4-dichloro-5-(cyclopropylsulfa…

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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)	5.34	7.71	-16.6	2	7	0	94	497.4	5	↓ MOL2 SDF SMILES Flexibase

22704059

Analogs

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Popular Name: 3-isopropyl-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-isoxazolo[4,5-e]pyridine-5-carboxamide 3-isopropyl-N-spiro[1,3-benzodio…

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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)	4.85	7.44	-16.91	1	7	0	86	393.443	3	↓ MOL2 SDF SMILES Flexibase

22704062

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2,4-difluoro-N-[3-oxo-3-(spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-ylamino)propyl]benzamide 2,4-difluoro-N-[3-oxo-3-(spiro[1…

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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)	4.33	7.93	-32.49	2	6	0	77	416.424	5	↓ MOL2 SDF SMILES Flexibase

13014278

Analogs

25102218

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-ethylamino-2-oxo-ethoxy)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-benzamide 4-(2-ethylamino-2-oxo-ethoxy)-N-…

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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)	4.23	8.4	-23.54	2	7	0	86	410.47	6	↓ MOL2 SDF SMILES Flexibase

13128190

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[4-(3,5-dimethylisoxazol-4-yl)sulfonylpiperazin-1-yl]-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5 2-[4-(3,5-dimethylisoxazol-4-yl)…

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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)	3.04	5.08	-19.87	1	10	0	114	490.582	5	↓ MOL2 SDF SMILES Flexibase

13128545

Analogs

25407343

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-benzoylpiperazin-1-yl)-N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-acetamide 2-(4-benzoylpiperazin-1-yl)-N-sp…

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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)	3.83	8.43	-20.2	1	7	0	71	435.524	4	↓ MOL2 SDF SMILES Flexibase

13128550

Analogs

13128551

Draw Identity 99% 90% 80% 70%

Popular Name: N-spiro[1,3-benzodioxole-2,1'-cyclohexane]-5-yl-2-[1-[[(2S)-tetrahydrofuran-2-yl]methyl]tetrazol-5-y N-spiro[1,3-benzodioxole-2,1'-cy…

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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)	3.28	7.14	-13.64	1	9	0	100	431.518	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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