ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

35499136

Analogs

35499139
3594997
8890434
8890435

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-[(2S,6S)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5S)-3-[2-[(2S,6S)-2,6-dimethyl-…

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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)	2.01	7.8	-12.55	1	6	0	70	355.438	2	↓ MOL2 SDF SMILES Flexibase

35499139

Analogs

35499136
3594997
8890434

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-[(2R,6R)-2,6-dimethyl-1-piperidyl]-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5S)-3-[2-[(2R,6R)-2,6-dimethyl-…

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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)	2.01	7.81	-12.61	1	6	0	70	355.438	2	↓ MOL2 SDF SMILES Flexibase

53313899

Analogs

8707180
8707181
8707182

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]acetamid 2-[(4S)-2,5-dioxospiro[imidazoli…

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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	8.05	-14.37	1	6	0	70	383.473	4	↓ MOL2 SDF SMILES Flexibase

53313903

Analogs

8707180
8707181
8707182

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]acetamid 2-[(4S)-2,5-dioxospiro[imidazoli…

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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	8.04	-14.1	1	6	0	70	383.473	4	↓ MOL2 SDF SMILES Flexibase

53313906

Analogs

8707180
8707181
8707182

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-methyl-N-[(1S)-1-(2-thienyl)ethyl]acetamid 2-[(4R)-2,5-dioxospiro[imidazoli…

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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	8.05	-16.52	1	6	0	70	383.473	4	↓ MOL2 SDF SMILES Flexibase

53313909

Analogs

8707180
8707181
8707182

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-methyl-N-[(1R)-1-(2-thienyl)ethyl]acetamid 2-[(4R)-2,5-dioxospiro[imidazoli…

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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	8.04	-16.33	1	6	0	70	383.473	4	↓ MOL2 SDF SMILES Flexibase

53473088

Analogs

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Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-(1-phenylcyclobutyl)acetamide 2-[(4S)-2,5-dioxospiro[imidazoli…

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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)	3.02	8.34	-14.76	2	6	0	79	389.455	4	↓ MOL2 SDF SMILES Flexibase

53473089

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-(1-phenylcyclobutyl)acetamide 2-[(4R)-2,5-dioxospiro[imidazoli…

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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)	3.02	8.33	-16.92	2	6	0	79	389.455	4	↓ MOL2 SDF SMILES Flexibase

53475671

Analogs

8889962
8889963
8889965

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[(1S)-indan-1-yl]acetamide 2-[(4S)-2,5-dioxospiro[imidazoli…

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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)	2.54	7.79	-16.04	2	6	0	79	375.428	3	↓ MOL2 SDF SMILES Flexibase

53475673

Analogs

8889962
8889963
8889965

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[(1R)-indan-1-yl]acetamide 2-[(4S)-2,5-dioxospiro[imidazoli…

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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)	2.54	7.72	-15.58	2	6	0	79	375.428	3	↓ MOL2 SDF SMILES Flexibase

53475676

Analogs

8889962
8889963
8889965

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[(1S)-indan-1-yl]acetamide 2-[(4R)-2,5-dioxospiro[imidazoli…

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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)	2.54	7.78	-18.21	2	6	0	79	375.428	3	↓ MOL2 SDF SMILES Flexibase

53475677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[(1R)-indan-1-yl]acetamide 2-[(4R)-2,5-dioxospiro[imidazoli…

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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)	2.54	7.72	-17.8	2	6	0	79	375.428	3	↓ MOL2 SDF SMILES Flexibase

21548593

Analogs

9562182

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-(4-iodo-2-methyl-phenyl)acetamide 2-[(4S)-2,5-dioxospiro[imidazoli…

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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)	3.72	8.31	-18.54	2	6	0	79	475.286	3	↓ MOL2 SDF SMILES Flexibase

36637071

Analogs

36637073

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-(3-iodo-4-methyl-phenyl)acetamide 2-[(4S)-2,5-dioxospiro[imidazoli…

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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)	3.72	8.06	-13.35	2	6	0	79	475.286	3	↓ MOL2 SDF SMILES Flexibase

36637073

Analogs

36637071

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-(3-iodo-4-methyl-phenyl)acetamide 2-[(4R)-2,5-dioxospiro[imidazoli…

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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)	3.72	8.07	-17.98	2	6	0	79	475.286	3	↓ MOL2 SDF SMILES Flexibase

36637075

Analogs

36637077

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-(2-propoxyphenyl)acetamide 2-[(4S)-2,5-dioxospiro[imidazoli…

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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)	3.15	7.59	-14.05	2	7	0	88	393.443	6	↓ MOL2 SDF SMILES Flexibase

36637077

Analogs

36637075

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-(2-propoxyphenyl)acetamide 2-[(4R)-2,5-dioxospiro[imidazoli…

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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)	3.15	7.59	-15.99	2	7	0	88	393.443	6	↓ MOL2 SDF SMILES Flexibase

36640966

Analogs

36640968
16510033
16510036

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetyl]-3,4-dimethoxy-benzohydrazide N'-[2-[(4S)-2,5-dioxospiro[imida…

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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)	0.64	4.49	-18.15	3	10	0	126	438.44	6	↓ MOL2 SDF SMILES Flexibase

36640968

Analogs

16510033
16510036
36640966

Draw Identity 99% 90% 80% 70%

Popular Name: N'-[2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetyl]-3,4-dimethoxy-benzohydrazide N'-[2-[(4R)-2,5-dioxospiro[imida…

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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)	0.64	4.48	-19.72	3	10	0	126	438.44	6	↓ MOL2 SDF SMILES Flexibase

13012379

Analogs

13012380

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetyl]amino]phenyl]-3-methyl-butanami N-[4-[[2-[(4R)-2,5-dioxospiro[im…

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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)	3.09	7.5	-18.66	3	8	0	108	434.496	6	↓ MOL2 SDF SMILES Flexibase

13012380

Analogs

13012379

Draw Identity 99% 90% 80% 70%

Popular Name: N-[4-[[2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetyl]amino]phenyl]-3-methyl-butanami N-[4-[[2-[(4S)-2,5-dioxospiro[im…

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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)	3.09	7.51	-20.02	3	8	0	108	434.496	6	↓ MOL2 SDF SMILES Flexibase

22739144

Analogs

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Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[(4-fluoro-3-methyl-phenyl)methyl]acetamid 2-[(4R)-2,5-dioxospiro[imidazoli…

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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	7.22	-17.62	2	6	0	79	381.407	4	↓ MOL2 SDF SMILES Flexibase

22739148

Analogs

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Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[(4-fluoro-3-methyl-phenyl)methyl]acetamid 2-[(4S)-2,5-dioxospiro[imidazoli…

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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	7.2	-18.39	2	6	0	79	381.407	4	↓ MOL2 SDF SMILES Flexibase

22739793

Analogs

8890185
8890187
8890188

Draw Identity 99% 90% 80% 70%

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)	3.46	9.42	-19.44	2	8	0	105	467.547	5	↓ MOL2 SDF SMILES Flexibase

22739796

Analogs

8890185
8890187
8890188

Draw Identity 99% 90% 80% 70%

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)	3.46	9.44	-18.16	2	8	0	105	467.547	5	↓ MOL2 SDF SMILES Flexibase

22739800

Analogs

8890185
8890187
8890188

Draw Identity 99% 90% 80% 70%

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)	3.46	9.43	-18.56	2	8	0	105	467.547	5	↓ MOL2 SDF SMILES Flexibase

22739804

Analogs

8890185
8890187
8890188

Draw Identity 99% 90% 80% 70%

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)	3.46	9.42	-19.41	2	8	0	105	467.547	5	↓ MOL2 SDF SMILES Flexibase

36875857

Analogs

36875858

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide 2-[(4S)-2,5-dioxospiro[imidazoli…

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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)	4.21	11.16	-20.19	2	7	0	83	452.514	4	↓ MOL2 SDF SMILES Flexibase

36875858

Analogs

36875857

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-(9-ethylcarbazol-3-yl)acetamide 2-[(4R)-2,5-dioxospiro[imidazoli…

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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)	4.21	11.16	-22.57	2	7	0	83	452.514	4	↓ MOL2 SDF SMILES Flexibase

36875859

Analogs

36875860

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3S)-1-benzylpyrrolidin-3-yl]-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetamide N-[(3S)-1-benzylpyrrolidin-3-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)	2.25	9.02	-50.53	3	7	1	83	419.505	5	↓ MOL2 SDF SMILES Flexibase

36875860

Analogs

36875859

Draw Identity 99% 90% 80% 70%

Popular Name: N-[(3R)-1-benzylpyrrolidin-3-yl]-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetamide N-[(3R)-1-benzylpyrrolidin-3-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)	2.25	8.87	-50.06	3	7	1	83	419.505	5	↓ MOL2 SDF SMILES Flexibase

36875861

Analogs

36875862
7278847
7278850
7278838

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Popular Name: 3-[[2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetyl]amino]benzamide 3-[[2-[(4S)-2,5-dioxospiro[imida…

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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)	1.06	3.21	-28.77	4	8	0	122	378.388	4	↓ MOL2 SDF SMILES Flexibase

36875862

Analogs

36875861
7278847
7278850

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Popular Name: 3-[[2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetyl]amino]benzamide 3-[[2-[(4R)-2,5-dioxospiro[imida…

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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)	1.06	3.22	-25.97	4	8	0	122	378.388	4	↓ MOL2 SDF SMILES Flexibase

36875863

Analogs

36875864
36875865
36875866

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Popular Name: (5S)-3-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]spiro[imidazolidine (5S)-3-[2-[(2R)-2-(2,3-dihydro-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)	1.94	9.12	-21.75	1	8	0	88	447.491	3	↓ MOL2 SDF SMILES Flexibase

36875864

Analogs

36875865
36875866
36875863

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-[(2R)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]spiro[imidazolidine (5R)-3-[2-[(2R)-2-(2,3-dihydro-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)	1.94	9.12	-19.26	1	8	0	88	447.491	3	↓ MOL2 SDF SMILES Flexibase

36875865

Analogs

36875866
36875863
36875864

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]spiro[imidazolidine (5S)-3-[2-[(2S)-2-(2,3-dihydro-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)	1.94	9.11	-21.85	1	8	0	88	447.491	3	↓ MOL2 SDF SMILES Flexibase

36875866

Analogs

36875863
36875864
36875865

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-[(2S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrrolidin-1-yl]-2-oxo-ethyl]spiro[imidazolidine (5R)-3-[2-[(2S)-2-(2,3-dihydro-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)	1.94	9.12	-19.26	1	8	0	88	447.491	3	↓ MOL2 SDF SMILES Flexibase

36875871

Analogs

36875872
12782886
12782888
2642656

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-(2,5-diethylphenyl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5S)-3-[2-(2,5-diethylphenyl)-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)	4.00	10.78	-11.65	1	5	0	66	376.456	5	↓ MOL2 SDF SMILES Flexibase

36875872

Analogs

36875871
12782886
12782888

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-(2,5-diethylphenyl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5R)-3-[2-(2,5-diethylphenyl)-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)	4.00	10.78	-13.37	1	5	0	66	376.456	5	↓ MOL2 SDF SMILES Flexibase

36875873

Analogs

36875874

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-(4-ethoxyphenyl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5S)-3-[2-(4-ethoxyphenyl)-2-oxo…

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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)	2.67	8.18	-13.68	1	6	0	76	364.401	5	↓ MOL2 SDF SMILES Flexibase

36875874

Analogs

36875873

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-(4-ethoxyphenyl)-2-oxo-ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5R)-3-[2-(4-ethoxyphenyl)-2-oxo…

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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)	2.67	8.18	-15.66	1	6	0	76	364.401	5	↓ MOL2 SDF SMILES Flexibase

36875879

Analogs

36875880

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-cyano-phenyl)-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetamide N-(3-chloro-4-cyano-phenyl)-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)	2.62	7.25	-17.32	2	7	0	102	394.818	3	↓ MOL2 SDF SMILES Flexibase

36875880

Analogs

36875879

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3-chloro-4-cyano-phenyl)-2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetamide N-(3-chloro-4-cyano-phenyl)-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)	2.62	7.25	-15.78	2	7	0	102	394.818	3	↓ MOL2 SDF SMILES Flexibase

36875881

Analogs

36875882

Draw Identity 99% 90% 80% 70%

Popular Name: (5S)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5S)-3-[2-oxo-2-(4-phenylpiperaz…

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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)	2.03	8.71	-14.99	1	7	0	73	404.47	3	↓ MOL2 SDF SMILES Flexibase

36875882

Analogs

36875881

Draw Identity 99% 90% 80% 70%

Popular Name: (5R)-3-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]spiro[imidazolidine-5,1'-indane]-2,4-dione (5R)-3-[2-oxo-2-(4-phenylpiperaz…

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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)	2.03	8.71	-17.12	1	7	0	73	404.47	3	↓ MOL2 SDF SMILES Flexibase

23003735

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetamide N-(5-chloro-2,4-dimethoxy-phenyl…

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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)	2.91	5.73	-21.28	2	8	0	97	429.86	5	↓ MOL2 SDF SMILES Flexibase

23003737

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(5-chloro-2,4-dimethoxy-phenyl)-2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]acetamide N-(5-chloro-2,4-dimethoxy-phenyl…

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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)	2.91	5.72	-22.13	2	8	0	97	429.86	5	↓ MOL2 SDF SMILES Flexibase

23016137

Analogs

14493394
14493397

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4R)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[4-(4-methylphenoxy)phenyl]acetamide 2-[(4R)-2,5-dioxospiro[imidazoli…

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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)	4.46	9.95	-19.54	2	7	0	88	441.487	5	↓ MOL2 SDF SMILES Flexibase

23016142

Analogs

14493394
14493397

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(4S)-2,5-dioxospiro[imidazolidine-4,1'-indane]-1-yl]-N-[4-(4-methylphenoxy)phenyl]acetamide 2-[(4S)-2,5-dioxospiro[imidazoli…

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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)	4.46	9.94	-22.22	2	7	0	88	441.487	5	↓ MOL2 SDF SMILES Flexibase

23038978

Analogs

Draw Identity 99% 90% 80% 70%

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)	2.87	7.84	-22.77	2	8	0	105	427.482	6	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

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SQL Query Was

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