ZINC 12

User Information

Not Authenticated — sign in

Active cart: Temporary Cart (0 items)

Navigation

About
- ZINC
- BCIRC
- Irwin Lab
- Shoichet Lab
- UCSF
- Acknowledgements
- Facts
- Usage
Search
- By:
- Text
- Structure
- Properties
- Catalogs
- ZINC
- Targets
- Rings
- Combination
Subsets
- By:
- Catalog
- Property
- Target
- Ring
- Cart
Help
- Introduction
- FAQ
- Scripting/API
- Quick Search
- Problems
- Filtering
- History
Social
- ZINC Fans
- Decoy Club
- DOCK Fans
- Facebook
- Twitter
- Blog
- Linkedin
Quick Search ZINC ID or SMILES

Results
Query Details

Page Size:

Format: Representations: Purchasability:

ZINC Item

Suppliers, Protomers, & Similar Substances

59817182

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methylBLAH methylBLAH

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	-5.31	8.67	-84.84	0	2	2	8	184.242	0	↓ MOL2 SDF SMILES Flexibase

1386249

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methoxyphenyl)-5-methyl-2-(4-methylphenyl)-2H-imidazole 4-(2-methoxyphenyl)-5-methyl-2-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.58	-10.41	0	3	0	34	278.355	3	↓ MOL2 SDF SMILES Flexibase

1386250

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methoxyphenyl)-5-methyl-2-(4-methylphenyl)-2H-imidazole 4-(2-methoxyphenyl)-5-methyl-2-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.58	-10.4	0	3	0	34	278.355	3	↓ MOL2 SDF SMILES Flexibase

1386251

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-4-(2-methoxyphenyl)-5-methyl-2H-imidazole 2-(4-fluorophenyl)-4-(2-methoxyp…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	5.58	-6.76	0	3	0	34	282.318	3	↓ MOL2 SDF SMILES Flexibase

1386252

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(4-fluorophenyl)-4-(2-methoxyphenyl)-5-methyl-2H-imidazole 2-(4-fluorophenyl)-4-(2-methoxyp…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	5.58	-6.76	0	3	0	34	282.318	3	↓ MOL2 SDF SMILES Flexibase

1386253

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methoxyphenyl)-5-methyl-2-(2,4,6-trichlorophenyl)-2H-imidazole 4-(2-methoxyphenyl)-5-methyl-2-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.49	-1.24	-7.56	0	3	0	33	367.663	3	↓ MOL2 SDF SMILES Flexibase

1386254

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 4-(2-methoxyphenyl)-5-methyl-2-(2,4,6-trichlorophenyl)-2H-imidazole 4-(2-methoxyphenyl)-5-methyl-2-(…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.49	-1.89	-5.9	0	3	0	33	367.663	3	↓ MOL2 SDF SMILES Flexibase

4890482

Analogs

4891534

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]-N-(p-tolyl)acetamide 2-[(3-phenyl-1,4-diazaspiro[4.4]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.86	-4.68	-9.77	1	4	0	53	377.513	5	↓ MOL2 SDF SMILES Flexibase

4890485

Analogs

4891517
9599163

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide N-(4-chlorophenyl)-2-[(2-phenyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.09	-5.15	-9.61	1	4	0	53	397.931	5	↓ MOL2 SDF SMILES Flexibase

4890488

Analogs

4891513

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-(2,2-dimethyl-5-phenyl-imidazol-4-yl)sulfanyl-acetamide N-(4-chlorophenyl)-2-(2,2-dimeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.32	6.18	-9.71	1	4	0	54	371.893	5	↓ MOL2 SDF SMILES Flexibase

4890492

Analogs

4891523

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,2-dimethyl-5-phenyl-imidazol-4-yl)sulfanyl-N-(p-tolyl)acetamide 2-(2,2-dimethyl-5-phenyl-imidazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.08	-4.22	-9.71	1	4	0	53	351.475	5	↓ MOL2 SDF SMILES Flexibase

4890497

Analogs

4890502

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-ethyl-2-methyl-5-phenyl-imidazol-4-yl)sulfanyl-N-(p-tolyl)acetamide 2-(2-ethyl-2-methyl-5-phenyl-imi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.15	-3.65	-9.5	1	4	0	53	365.502	6	↓ MOL2 SDF SMILES Flexibase

4890502

Analogs

4890497

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2-ethyl-2-methyl-5-phenyl-imidazol-4-yl)sulfanyl-N-(p-tolyl)acetamide 2-(2-ethyl-2-methyl-5-phenyl-imi…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.15	-3.64	-9.47	1	4	0	53	365.502	6	↓ MOL2 SDF SMILES Flexibase

4890510

Analogs

4890512

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-(2-ethyl-2-methyl-5-phenyl-imidazol-4-yl)sulfanyl-acetamide N-(4-chlorophenyl)-2-(2-ethyl-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-4.12	-9.28	1	4	0	53	385.92	6	↓ MOL2 SDF SMILES Flexibase

4890512

Analogs

4890510

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-chlorophenyl)-2-(2-ethyl-2-methyl-5-phenyl-imidazol-4-yl)sulfanyl-acetamide N-(4-chlorophenyl)-2-(2-ethyl-2-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-4.11	-9.24	1	4	0	53	385.92	6	↓ MOL2 SDF SMILES Flexibase

4890517

Analogs

4890551
4891559
9599128
9599129

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8-methyl-3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]-N-(p-tolyl)acetamide 2-[(8-methyl-3-phenyl-1,4-diazas…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.14	-4.08	-9.22	1	4	0	53	405.567	5	↓ MOL2 SDF SMILES Flexibase

4890524

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.94	-3.08	-10.23	1	6	0	80	395.484	7	↓ MOL2 SDF SMILES Flexibase

4890528

Analogs

4891543

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-ethylphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide N-(4-ethylphenyl)-2-[(3-phenyl-1…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.83	-4.27	-9.38	1	4	0	53	405.567	6	↓ MOL2 SDF SMILES Flexibase

4890532

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.72	8.04	-10.42	1	6	0	80	421.522	7	↓ MOL2 SDF SMILES Flexibase

4890537

Analogs

4890541

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-2.46	-9.85	1	6	0	80	409.511	8	↓ MOL2 SDF SMILES Flexibase

4890541

Analogs

4890537

Draw Identity 99% 90% 80% 70%

Popular Name: methyl methyl

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-2.53	-9.89	1	6	0	80	409.511	8	↓ MOL2 SDF SMILES Flexibase

4890545

Analogs

4891439

Draw Identity 99% 90% 80% 70%

Popular Name: N-phenyl-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide N-phenyl-2-[(2-phenyl-1,4-diazas…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.92	-4.77	-9.4	1	4	0	53	377.513	5	↓ MOL2 SDF SMILES Flexibase

4890551

Analogs

4891408
9599128
9599129
9599247
4890517

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(8-methyl-3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]-N-phenyl-acetamide 2-[(8-methyl-3-phenyl-1,4-diazas…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.69	-4.39	-9.4	1	4	0	53	391.54	5	↓ MOL2 SDF SMILES Flexibase

4890569

Analogs

4891552

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[(3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl)sulfanyl]-N-(p-tolyl)acetamide 2-[(3-phenyl-1,4-diazaspiro[4.6]…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.87	-3.32	-8.73	1	4	0	53	405.567	5	↓ MOL2 SDF SMILES Flexibase

4890576

Analogs

9599310

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl)sulfanyl]acetamide N-(4-methoxyphenyl)-2-[(3-phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.48	7.97	-10.5	1	5	0	63	421.566	6	↓ MOL2 SDF SMILES Flexibase

4890619

Analogs

4891062
4891079
4891200
4890607
4883295

Draw Identity 99% 90% 80% 70%

Popular Name: 5-(4-fluorophenyl)-2,2-dimethyl-2,3-dihydro-4H-imidazole-4-thione 5-(4-fluorophenyl)-2,2-dimethyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	1.79	3.75	-6.52	1	2	0	26	222.288	1	↓ MOL2 SDF SMILES Flexibase
Hi High (pH 8-9.5)	1.79	2.97	-37.3	0	2	-1	25	221.28	1	↓ MOL2 SDF SMILES Flexibase

4890660

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl]-N-(3-methoxyphenyl)-acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.61	6.4	-9.53	1	5	0	63	411.502	6	↓ MOL2 SDF SMILES Flexibase

4890665

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl]-N-(p-tolyl)acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.53	-3.69	-8.68	1	4	0	53	409.53	5	↓ MOL2 SDF SMILES Flexibase

4890669

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl]-N-(p-tolyl)acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-3.95	-8.84	1	4	0	53	395.503	5	↓ MOL2 SDF SMILES Flexibase

4890673

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl]-N-(p-tolyl)acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.04	-2.57	-8.05	1	4	0	53	423.557	5	↓ MOL2 SDF SMILES Flexibase

4890677

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-fluorophenyl)-2,2-dimethyl-imidazol-4-yl]sulfanyl-N-(p-tolyl)acetamide 2-[5-(4-fluorophenyl)-2,2-dimeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.25	-3.48	-8.93	1	4	0	53	369.465	5	↓ MOL2 SDF SMILES Flexibase

4890699

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-3.69	-8.61	1	4	0	53	409.53	5	↓ MOL2 SDF SMILES Flexibase

4890710

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.00	-3.93	-8.71	1	4	0	53	395.503	5	↓ MOL2 SDF SMILES Flexibase

4890716

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[3-(4-fluorophenyl)-1,4-diazaspiro[4.6]undeca-1,3-dien-2-yl]sulfanyl]-N-(m-tolyl)acetamide 2-[[3-(4-fluorophenyl)-1,4-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	6.01	-2.56	-7.85	1	4	0	53	423.557	5	↓ MOL2 SDF SMILES Flexibase

4890721

Analogs

6818790

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,2-dimethyl-5-phenyl-imidazol-4-yl)sulfanyl-N-(4-methoxyphenyl)-acetamide 2-(2,2-dimethyl-5-phenyl-imidazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.69	-4.54	-11.18	1	5	0	63	367.474	6	↓ MOL2 SDF SMILES Flexibase

4890727

Analogs

4891478

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-2-yl)sulfanyl]acetamide N-(4-methoxyphenyl)-2-[(3-phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.98	-4.74	-11.08	1	5	0	63	407.539	6	↓ MOL2 SDF SMILES Flexibase

4890733

Analogs

4891469

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-methoxyphenyl)-2-[(3-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-2-yl)sulfanyl]acetamide N-(4-methoxyphenyl)-2-[(3-phenyl…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	6.32	-10.84	1	5	0	63	393.512	6	↓ MOL2 SDF SMILES Flexibase

4890738

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-chlorophenyl)-2,2-dimethyl-imidazol-4-yl]sulfanyl-N-(4-methoxyphenyl)-acetamide 2-[5-(4-chlorophenyl)-2,2-dimeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	3.37	-4.68	-10.06	1	5	0	63	401.919	6	↓ MOL2 SDF SMILES Flexibase

4890743

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[5-(4-fluorophenyl)-2,2-dimethyl-imidazol-4-yl]sulfanyl-N-(4-methoxyphenyl)-acetamide 2-[5-(4-fluorophenyl)-2,2-dimeth…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-3.8	-10.39	1	5	0	63	385.464	6	↓ MOL2 SDF SMILES Flexibase

4890751

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[5-(4-fluorophenyl)-2,2-dimethyl-imidazol-4-yl]sulfanyl-acetamide N-(3,4-dimethoxyphenyl)-2-[5-(4-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.45	-3.45	-11.83	1	6	0	72	415.49	7	↓ MOL2 SDF SMILES Flexibase

4890757

Analogs

4891458

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl)sulfanyl]acetamide N-(4-fluorophenyl)-2-[(2-phenyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-4.03	-9.71	1	4	0	53	395.503	5	↓ MOL2 SDF SMILES Flexibase

4890764

Analogs

4891449

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl)sulfanyl]acetamide N-(4-fluorophenyl)-2-[(2-phenyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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	-4.26	-10.12	1	4	0	53	381.476	5	↓ MOL2 SDF SMILES Flexibase

4890770

Analogs

6818784

Draw Identity 99% 90% 80% 70%

Popular Name: 2-(2,2-dimethyl-5-phenyl-imidazol-4-yl)sulfanyl-N-(4-fluorophenyl)-acetamide 2-(2,2-dimethyl-5-phenyl-imidazo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.80	-3.81	-10.08	1	4	0	53	355.438	5	↓ MOL2 SDF SMILES Flexibase

4890777

Analogs

9599158

Draw Identity 99% 90% 80% 70%

Popular Name: 2-[[2-(4-chlorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]-N-(4-fluorophenyl)-acetamide 2-[[2-(4-chlorophenyl)-1,4-diaza…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.26	-4.42	-9.04	1	4	0	53	415.921	5	↓ MOL2 SDF SMILES Flexibase

4890782

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(3,4-dimethoxyphenyl)-2-[5-(3-fluorophenyl)-2,2-dimethyl-imidazol-4-yl]sulfanyl-acetamide N-(3,4-dimethoxyphenyl)-2-[5-(3-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.42	-3.45	-12.92	1	6	0	72	415.49	7	↓ MOL2 SDF SMILES Flexibase

4890788

Analogs

4890832

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[[2-(3-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide N-(4-fluorophenyl)-2-[[2-(3-fluo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.22	-3.28	-10.37	1	4	0	53	413.493	5	↓ MOL2 SDF SMILES Flexibase

4890796

Analogs

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[5-(4-fluorophenyl)-2,2-dimethyl-imidazol-4-yl]sulfanyl-acetamide N-(4-fluorophenyl)-2-[5-(4-fluor…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	2.96	-3.07	-9.4	1	4	0	53	373.428	5	↓ MOL2 SDF SMILES Flexibase

4890805

Analogs

6818766

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[[2-(3-fluorophenyl)-1,4-diazaspiro[4.4]nona-1,3-dien-3-yl]sulfanyl]acetamide N-(4-fluorophenyl)-2-[[2-(3-fluo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	4.72	-3.52	-10.43	1	4	0	53	399.466	5	↓ MOL2 SDF SMILES Flexibase

4890811

Analogs

4891463

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[(2-phenyl-1,4-diazaspiro[4.6]undeca-1,3-dien-3-yl)sulfanyl]acetamide N-(4-fluorophenyl)-2-[(2-phenyl-…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.59	-2.9	-9.02	1	4	0	53	409.53	5	↓ MOL2 SDF SMILES Flexibase

4890815

Analogs

4890840

Draw Identity 99% 90% 80% 70%

Popular Name: N-(4-fluorophenyl)-2-[[2-(4-fluorophenyl)-1,4-diazaspiro[4.5]deca-1,3-dien-3-yl]sulfanyl]acetamide N-(4-fluorophenyl)-2-[[2-(4-fluo…

Find On: PubMed — Wikipedia — Google

Activity (Go SEA)

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)	5.25	-3.28	-9.24	1	4	0	53	413.493	5	↓ MOL2 SDF SMILES Flexibase

Parameters Provided:

ring.id = 196023
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 = 196023 AND c.free = 1 AND c.purchasable = 0    LIMIT 50

Permalink

//zinc12.docking.org/results/combination?ring.id=196023&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": "196023"        

    });
</script>

ZINC 12

User Information

Navigation

About

Search

Subsets

Help

Social

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations

Analogs

Activity (Go SEA)

Physical Representations