ZINC 12

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ZINC Item

Suppliers, Protomers, & Similar Substances

9545111

Analogs

9545113
12598928
12598929

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(2-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione 3-[1-(2-chlorophenyl)ethyl]-5-me…

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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)	4.48	1.86	-8.13	0	4	0	40	342.826	3	↓ MOL2 SDF SMILES Flexibase

9545113

Analogs

12598928
12598929
9545111

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(2-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione 3-[1-(2-chlorophenyl)ethyl]-5-me…

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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)	4.48	1.86	-8.03	0	4	0	40	342.826	3	↓ MOL2 SDF SMILES Flexibase

12598929

Analogs

12598928

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(2-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione 3-[1-(2-chlorophenyl)ethyl]-5-me…

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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)	4.48	10.81	-8.02	0	4	0	41	342.826	3	↓ MOL2 SDF SMILES Flexibase

12598928

Analogs

12598929
9545111

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[1-(2-chlorophenyl)ethyl]-5-methyl-1-(4-methylphenyl)imidazolidine-2,4-dione 3-[1-(2-chlorophenyl)ethyl]-5-me…

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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)	4.48	10.81	-8.12	0	4	0	41	342.826	3	↓ MOL2 SDF SMILES Flexibase

3592586

Analogs

4308059
3409281
3505348

Draw Identity 99% 90% 80% 70%

Popular Name: N-[2-(difluoromethoxy)phenyl]-2-(2,4-diketo-8-methyl-1,3-diazaspiro[4.5]decan-3-yl)acetamide N-[2-(difluoromethoxy)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)	2.66	-0.58	-14.91	2	7	0	87	381.379	5	↓ MOL2 SDF SMILES Flexibase

8404735

Analogs

42199373
42199375

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(2-bromophenyl)methyl]-2,4-diazaspiro[4.6]undecane-1,3-dione 2-[(2-bromophenyl)methyl]-2,4-di…

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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)	3.82	8.07	-6.35	1	4	0	49	351.244	2	↓ MOL2 SDF SMILES Flexibase

32636394

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-[[4-(difluoromethoxy)phenyl]methyl]-2-(1,3-dioxo-2,4-diazaspiro[4.6]undecan-2-yl)-N-methyl-acetami N-[[4-(difluoromethoxy)phenyl]me…

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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	7.64	-20.35	1	7	0	79	409.433	6	↓ MOL2 SDF SMILES Flexibase

12682813

Analogs

9730343

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4,5-trimethoxyphenyl)-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetam N-(3,4,5-trimethoxyphenyl)-2-[(5…

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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)	2.61	6.46	-17.5	2	9	0	106	433.505	6	↓ MOL2 SDF SMILES Flexibase

9730343

Analogs

12682804
12682809
12682813

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4,5-trimethoxyphenyl)-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetamide N-(3,4,5-trimethoxyphenyl)-2-(7,…

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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)	2.61	5.74	-17.89	2	9	0	106	433.505	6	↓ MOL2 SDF SMILES Flexibase

12682809

Analogs

9730343

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4,5-trimethoxyphenyl)-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetam N-(3,4,5-trimethoxyphenyl)-2-[(5…

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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)	2.61	5.75	-18.37	2	9	0	106	433.505	6	↓ MOL2 SDF SMILES Flexibase

12682804

Analogs

9730343

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4,5-trimethoxyphenyl)-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetam N-(3,4,5-trimethoxyphenyl)-2-[(5…

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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)	2.61	6.46	-17.38	2	9	0	106	433.505	6	↓ MOL2 SDF SMILES Flexibase

2635115

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,9R)-2-(2-keto-2-mesityl-ethyl)-7,7,9-trimethyl-2,4-diazaspiro[4.5]decane-1,3-quinone (5S,9R)-2-(2-keto-2-mesityl-ethy…

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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	2.15	-10.23	1	5	0	66	370.493	3	↓ MOL2 SDF SMILES Flexibase

2635114

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,9R)-2-(2-keto-2-mesityl-ethyl)-7,7,9-trimethyl-2,4-diazaspiro[4.5]decane-1,3-quinone (5R,9R)-2-(2-keto-2-mesityl-ethy…

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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	1.15	-10.76	1	5	0	66	370.493	3	↓ MOL2 SDF SMILES Flexibase

2635113

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,9S)-2-(2-keto-2-mesityl-ethyl)-7,7,9-trimethyl-2,4-diazaspiro[4.5]decane-1,3-quinone (5S,9S)-2-(2-keto-2-mesityl-ethy…

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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	1.17	-10.84	1	5	0	66	370.493	3	↓ MOL2 SDF SMILES Flexibase

2635112

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,9S)-2-(2-keto-2-mesityl-ethyl)-7,7,9-trimethyl-2,4-diazaspiro[4.5]decane-1,3-quinone (5R,9S)-2-(2-keto-2-mesityl-ethy…

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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	2.14	-10.27	1	5	0	66	370.493	3	↓ MOL2 SDF SMILES Flexibase

7004236

Analogs

7004238
7004241
7004244
6599213

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione 3-[2-(2-chlorophenoxy)ethyl]-7,7…

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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)	4.12	8.85	-9.78	1	5	0	59	364.873	4	↓ MOL2 SDF SMILES Flexibase

7004238

Analogs

7004241
7004244
6599213
7004236

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione 3-[2-(2-chlorophenoxy)ethyl]-7,7…

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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)	4.12	8.13	-10.08	1	5	0	59	364.873	4	↓ MOL2 SDF SMILES Flexibase

7004241

Analogs

7004244
6599213
7004236

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione 3-[2-(2-chlorophenoxy)ethyl]-7,7…

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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)	4.12	8.13	-10.15	1	5	0	59	364.873	4	↓ MOL2 SDF SMILES Flexibase

7004244

Analogs

6599213
7004236

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(2-chlorophenoxy)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione 3-[2-(2-chlorophenoxy)ethyl]-7,7…

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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)	4.12	8.85	-9.8	1	5	0	59	364.873	4	↓ MOL2 SDF SMILES Flexibase

7001687

Analogs

7001693
7001698
7001704

Draw Identity 99% 90% 80% 70%

Popular Name: 7,7,9-trimethyl-2-[2-(3-methylphenoxy)ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione 7,7,9-trimethyl-2-[2-(3-methylph…

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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)	3.92	0.84	-8.54	1	5	0	58	344.455	4	↓ MOL2 SDF SMILES Flexibase

7001693

Analogs

7001698
7001704
7001687

Draw Identity 99% 90% 80% 70%

Popular Name: 7,7,9-trimethyl-2-[2-(3-methylphenoxy)ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione 7,7,9-trimethyl-2-[2-(3-methylph…

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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)	3.92	-0.14	-9.01	1	5	0	58	344.455	4	↓ MOL2 SDF SMILES Flexibase

7001698

Analogs

7001704
7001687

Draw Identity 99% 90% 80% 70%

Popular Name: 7,7,9-trimethyl-2-[2-(3-methylphenoxy)ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione 7,7,9-trimethyl-2-[2-(3-methylph…

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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)	3.92	-0.2	-9.49	1	5	0	58	344.455	4	↓ MOL2 SDF SMILES Flexibase

7001704

Analogs

7001687

Draw Identity 99% 90% 80% 70%

Popular Name: 7,7,9-trimethyl-2-[2-(3-methylphenoxy)ethyl]-2,4-diazaspiro[4.5]decane-1,3-dione 7,7,9-trimethyl-2-[2-(3-methylph…

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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)	3.92	0.81	-9.07	1	5	0	58	344.455	4	↓ MOL2 SDF SMILES Flexibase

3351181

Analogs

3351182
3351184
5292046
3351179

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7R)-3-m-anisyl-7,9,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-quinone (5S,7R)-3-m-anisyl-7,9,9-trimeth…

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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)	3.24	8.01	-8.3	1	5	0	59	330.428	3	↓ MOL2 SDF SMILES Flexibase

3351179

Analogs

3351181
3351182
3351184
5292046

Draw Identity 99% 90% 80% 70%

Popular Name: (5S,7S)-3-m-anisyl-7,9,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-quinone (5S,7S)-3-m-anisyl-7,9,9-trimeth…

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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)	3.24	7.28	-8.77	1	5	0	59	330.428	3	↓ MOL2 SDF SMILES Flexibase

3351184

Analogs

5292046
6553099
3351179

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7R)-3-m-anisyl-7,9,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-quinone (5R,7R)-3-m-anisyl-7,9,9-trimeth…

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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)	3.24	7.29	-8.8	1	5	0	59	330.428	3	↓ MOL2 SDF SMILES Flexibase

3351182

Analogs

3351184
5292046
6553099
3351179

Draw Identity 99% 90% 80% 70%

Popular Name: (5R,7S)-3-m-anisyl-7,9,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-quinone (5R,7S)-3-m-anisyl-7,9,9-trimeth…

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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)	3.24	8.01	-8.28	1	5	0	59	330.428	3	↓ MOL2 SDF SMILES Flexibase

6788268

Analogs

6788270
6788271
6788272
4308121

Draw Identity 99% 90% 80% 70%

Popular Name: 7,7,9-trimethyl-2-(o-tolylmethyl)-2,4-diazaspiro[4.5]decane-1,3-dione 7,7,9-trimethyl-2-(o-tolylmethyl…

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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)	3.61	1.65	-7.69	1	4	0	49	314.429	2	↓ MOL2 SDF SMILES Flexibase

6788270

Analogs

6788271
6788272
4308121
6788268

Draw Identity 99% 90% 80% 70%

Popular Name: 7,7,9-trimethyl-2-(o-tolylmethyl)-2,4-diazaspiro[4.5]decane-1,3-dione 7,7,9-trimethyl-2-(o-tolylmethyl…

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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)	3.61	0.66	-8.29	1	4	0	49	314.429	2	↓ MOL2 SDF SMILES Flexibase

6788271

Analogs

6788272
4308121
6788268

Draw Identity 99% 90% 80% 70%

Popular Name: 7,7,9-trimethyl-2-(o-tolylmethyl)-2,4-diazaspiro[4.5]decane-1,3-dione 7,7,9-trimethyl-2-(o-tolylmethyl…

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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)	3.61	0.65	-8.35	1	4	0	49	314.429	2	↓ MOL2 SDF SMILES Flexibase

6788272

Analogs

4308121
6788268

Draw Identity 99% 90% 80% 70%

Popular Name: 7,7,9-trimethyl-2-(o-tolylmethyl)-2,4-diazaspiro[4.5]decane-1,3-dione 7,7,9-trimethyl-2-(o-tolylmethyl…

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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)	3.61	1.69	-7.67	1	4	0	49	314.429	2	↓ MOL2 SDF SMILES Flexibase

6583176

Analogs

6583178
6583179
6583180

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione 3-[2-(1,3-dioxoisoindolin-2-yl)e…

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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	8.3	-13.61	1	7	0	88	383.448	3	↓ MOL2 SDF SMILES Flexibase

6583178

Analogs

6583179
6583180
6583176

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione 3-[2-(1,3-dioxoisoindolin-2-yl)e…

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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	7.57	-14.55	1	7	0	88	383.448	3	↓ MOL2 SDF SMILES Flexibase

6583179

Analogs

6583180
6583176

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione 3-[2-(1,3-dioxoisoindolin-2-yl)e…

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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	7.58	-14.54	1	7	0	88	383.448	3	↓ MOL2 SDF SMILES Flexibase

6583180

Analogs

6583176

Draw Identity 99% 90% 80% 70%

Popular Name: 3-[2-(1,3-dioxoisoindolin-2-yl)ethyl]-7,7,9-trimethyl-1,3-diazaspiro[4.5]decane-2,4-dione 3-[2-(1,3-dioxoisoindolin-2-yl)e…

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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	8.3	-13.66	1	7	0	88	383.448	3	↓ MOL2 SDF SMILES Flexibase

3459256

Analogs

36692954
3459248

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S,9R)-1,3-diketo-7,7,9-trimethyl-2,4-diazaspiro[4.5]decan-2-yl]-N-(o-tolyl)acetamide 2-[(5S,9R)-1,3-diketo-7,7,9-trim…

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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)	3.38	0.28	-13.6	2	6	0	78	357.454	3	↓ MOL2 SDF SMILES Flexibase

3459254

Analogs

3459256
36692954
3459248

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R,9R)-1,3-diketo-7,7,9-trimethyl-2,4-diazaspiro[4.5]decan-2-yl]-N-(o-tolyl)acetamide 2-[(5R,9R)-1,3-diketo-7,7,9-trim…

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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)	3.38	-0.72	-14.59	2	6	0	78	357.454	3	↓ MOL2 SDF SMILES Flexibase

3459252

Analogs

3459254
3459256
36692954
3459248

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S,9S)-1,3-diketo-7,7,9-trimethyl-2,4-diazaspiro[4.5]decan-2-yl]-N-(o-tolyl)acetamide 2-[(5S,9S)-1,3-diketo-7,7,9-trim…

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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)	3.38	-0.71	-14.73	2	6	0	78	357.454	3	↓ MOL2 SDF SMILES Flexibase

3459248

Analogs

3459252
3459254
3459256
36692954
36692955

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R,9S)-1,3-diketo-7,7,9-trimethyl-2,4-diazaspiro[4.5]decan-2-yl]-N-(o-tolyl)acetamide 2-[(5R,9S)-1,3-diketo-7,7,9-trim…

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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)	3.38	0.28	-13.51	2	6	0	78	357.454	3	↓ MOL2 SDF SMILES Flexibase

3368758

Analogs

3368752

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S,9R)-1,3-diketo-7,7,9-trimethyl-2,4-diazaspiro[4.5]decan-2-yl]-N-(p-tolyl)acetamide 2-[(5S,9R)-1,3-diketo-7,7,9-trim…

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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	0.08	-13.7	2	6	0	78	357.454	3	↓ MOL2 SDF SMILES Flexibase

3368757

Analogs

3368758
3368752

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R,9R)-1,3-diketo-7,7,9-trimethyl-2,4-diazaspiro[4.5]decan-2-yl]-N-(p-tolyl)acetamide 2-[(5R,9R)-1,3-diketo-7,7,9-trim…

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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	-0.92	-14.87	2	6	0	78	357.454	3	↓ MOL2 SDF SMILES Flexibase

3368755

Analogs

3368757
3368758
3368752

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5S,9S)-1,3-diketo-7,7,9-trimethyl-2,4-diazaspiro[4.5]decan-2-yl]-N-(p-tolyl)acetamide 2-[(5S,9S)-1,3-diketo-7,7,9-trim…

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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	-0.94	-14.76	2	6	0	78	357.454	3	↓ MOL2 SDF SMILES Flexibase

3368752

Analogs

3368755
3368757
3368758

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(5R,9S)-1,3-diketo-7,7,9-trimethyl-2,4-diazaspiro[4.5]decan-2-yl]-N-(p-tolyl)acetamide 2-[(5R,9S)-1,3-diketo-7,7,9-trim…

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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	0.04	-13.84	2	6	0	78	357.454	3	↓ MOL2 SDF SMILES Flexibase

12601591

Analogs

12601594
12601585

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(5S,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-cyclopropyl-2-[(5S,9R)-7,7,9-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	5.3	-12.71	2	6	0	79	307.394	3	↓ MOL2 SDF SMILES Flexibase

12601594

Analogs

12601585

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(5S,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-cyclopropyl-2-[(5S,9S)-7,7,9-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	4.57	-13.01	2	6	0	79	307.394	3	↓ MOL2 SDF SMILES Flexibase

12601585

Analogs

12601588
12601591
12601594

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(5R,9R)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-cyclopropyl-2-[(5R,9R)-7,7,9-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	4.59	-13.51	2	6	0	79	307.394	3	↓ MOL2 SDF SMILES Flexibase

12601588

Analogs

12601591
12601594
12601585

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopropyl-2-[(5R,9S)-7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl]acetamide N-cyclopropyl-2-[(5R,9S)-7,7,9-t…

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Physical Representations

Type pH range	xlogP	Des A‑Pol Apolar desolvation (kcal/mol)	Des Pol Polar desolvation (kcal/mol)	H Don H-bond donors	H Acc H-bond acceptors	Chg Net charge	tPSA (Å²)	MWT Molecular weight (g/mol)	RB Rotatable bonds	DL
Ref Reference (pH 7)	1.78	5.3	-12.52	2	6	0	79	307.394	3	↓ MOL2 SDF SMILES Flexibase

9313455

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetamide N-cyclopentyl-2-(7,7,9-trimethyl…

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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)	2.82	6.6	-12.62	2	6	0	79	335.448	3	↓ MOL2 SDF SMILES Flexibase

9313456

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetamide N-cyclopentyl-2-(7,7,9-trimethyl…

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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)	2.82	5.87	-12.95	2	6	0	79	335.448	3	↓ MOL2 SDF SMILES Flexibase

9313457

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-cyclopentyl-2-(7,7,9-trimethyl-2,4-dioxo-1,3-diazaspiro[4.5]dec-3-yl)-acetamide N-cyclopentyl-2-(7,7,9-trimethyl…

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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)	2.82	5.88	-13.36	2	6	0	79	335.448	3	↓ MOL2 SDF SMILES Flexibase

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page.num = 1
catalog.name = zerenex
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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  WHERE c.free = 1 AND c.short_name LIKE 'zerenex' AND ci.sub_id_fk IN (SELECT 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  WHERE c.free = 1 AND c.purchasable IN (1,2,4,5)   )    LIMIT 50

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